tert-butyl N-[(2R)-1-(2,4-dipropoxyanilino)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate;2-(diethylamino)ethyl 4-[[(2R)-2-(benzenesulfonamido)-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-butoxybenzoate;2-(diethylamino)ethyl 3-butoxy-4-[[(2R)-2-(tert-butylcarbamoylamino)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate;2-(diethylamino)ethyl 3-butoxy-4-[[(2R)-2-(ethylcarbamoylamino)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate;2-(diethylamino)ethyl 3-butoxy-4-[[(2R)-2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate

C180H234N16O32S2 — CID 159892989

About tert-butyl N-[(2R)-1-(2,4-dipropoxyanilino)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate;2-(diethylamino)ethyl 4-[[(2R)-2-(benzenesulfonamido)-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-butoxybenzoate;2-(diethylamino)ethyl 3-butoxy-4-[[(2R)-2-(tert-butylcarbamoylamino)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate;2-(diethylamino)ethyl 3-butoxy-4-[[(2R)-2-(ethylcarbamoylamino)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate;2-(diethylamino)ethyl 3-butoxy-4-[[(2R)-2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate

tert-butyl N-[(2R)-1-(2,4-dipropoxyanilino)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate;2-(diethylamino)ethyl 4-[[(2R)-2-(benzenesulfonamido)-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-butoxybenzoate;2-(diethylamino)ethyl 3-butoxy-4-[[(2R)-2-(tert-butylcarbamoylamino)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate;2-(diethylamino)ethyl 3-butoxy-4-[[(2R)-2-(ethylcarbamoylamino)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate;2-(diethylamino)ethyl 3-butoxy-4-[[(2R)-2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate (PubChem CID 159892989) has the molecular formula C180H234N16O32S2 and a molecular weight of 3198.07 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-(2,4-dipropoxyanilino)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate;2-(diethylamino)ethyl 4-[[(2R)-2-(benzenesulfonamido)-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-butoxybenzoate;2-(diethylamino)ethyl 3-butoxy-4-[[(2R)-2-(tert-butylcarbamoylamino)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate;2-(diethylamino)ethyl 3-butoxy-4-[[(2R)-2-(ethylcarbamoylamino)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate;2-(diethylamino)ethyl 3-butoxy-4-[[(2R)-2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate.

Molecular Properties

• Compound Name: tert-butyl N-[(2R)-1-(2,4-dipropoxyanilino)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate;2-(diethylamino)ethyl 4-[[(2R)-2-(benzenesulfonamido)-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-butoxybenzoate;2-(diethylamino)ethyl 3-butoxy-4-[[(2R)-2-(tert-butylcarbamoylamino)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate;2-(diethylamino)ethyl 3-butoxy-4-[[(2R)-2-(ethylcarbamoylamino)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate;2-(diethylamino)ethyl 3-butoxy-4-[[(2R)-2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate
• PubChem CID: 159892989
• Molecular Formula: C180H234N16O32S2
• Molecular Weight: 3198.07 g/mol
• Exact Mass: 3195.66
• IUPAC Name: tert-butyl N-[(2R)-1-(2,4-dipropoxyanilino)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate;2-(diethylamino)ethyl 4-[[(2R)-2-(benzenesulfonamido)-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-butoxybenzoate;2-(diethylamino)ethyl 3-butoxy-4-[[(2R)-2-(tert-butylcarbamoylamino)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate;2-(diethylamino)ethyl 3-butoxy-4-[[(2R)-2-(ethylcarbamoylamino)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate;2-(diethylamino)ethyl 3-butoxy-4-[[(2R)-2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate
• SMILES: CCCCOc1cc(C(=O)OCCN(CC)CC)ccc1NC(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)NC(C)(C)C.CCCCOc1cc(C(=O)OCCN(CC)CC)ccc1NC(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)NCC.CCCCOc1cc(C(=O)OCCN(CC)CC)ccc1NC(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NS(=O)(=O)c1ccccc1.CCCCOc1cc(C(=O)OCCN(CC)CC)ccc1NC(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NS(C)(=O)=O.CCCOc1ccc(NC(=O)[C@@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)OC(C)(C)C)c(OCCC)c1
• InChI: InChI=1S/C39H47N3O7S.C38H52N4O6.C36H48N4O6.C34H45N3O7S.C33H42N2O6/c1-4-7-25-47-37-28-32(39(44)48-26-24-42(5-2)6-3)20-23-35(37)40-38(43)36(41-50(45,46)34-16-12-9-13-17-34)27-30-18-21-33(22-19-30)49-29-31-14-10-8-11-15-31;1-7-10-23-46-34-26-30(36(44)47-24-22-42(8-2)9-3)18-21-32(34)39-35(43)33(40-37(45)41-38(4,5)6)25-28-16-19-31(20-17-28)48-27-29-14-12-11-13-15-29;1-5-9-22-44-33-25-29(35(42)45-23-21-40(7-3)8-4)17-20-31(33)38-34(41)32(39-36(43)37-6-2)24-27-15-18-30(19-16-27)46-26-28-13-11-10-12-14-28;1-5-8-21-42-32-24-28(34(39)43-22-20-37(6-2)7-3)16-19-30(32)35-33(38)31(36-45(4,40)41)23-26-14-17-29(18-15-26)44-25-27-12-10-9-11-13-27;1-6-19-38-27-17-18-28(30(22-27)39-20-7-2)34-31(36)29(35-32(37)41-33(3,4)5)21-24-13-15-26(16-14-24)40-23-25-11-9-8-10-12-25/h8-23,28,36,41H,4-7,24-27,29H2,1-3H3,(H,40,43);11-21,26,33H,7-10,22-25,27H2,1-6H3,(H,39,43)(H2,40,41,45);10-20,25,32H,5-9,21-24,26H2,1-4H3,(H,38,41)(H2,37,39,43);9-19,24,31,36H,5-8,20-23,25H2,1-4H3,(H,35,38);8-18,22,29H,6-7,19-21,23H2,1-5H3,(H,34,36)(H,35,37)/t36-;33-;32-;31-;29-/m11111/s1
• InChIKey: NUZMAHSXYSJQCI-UGMPFRQTSA-N
• XLogP: 30.83
• TPSA: 578.12 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 36
• Rotatable Bonds: 90
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3198.07
LogP ≤ 5	30.83
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-(2,4-dipropoxyanilino)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate;2-(diethylamino)ethyl 4-[[(2R)-2-(benzenesulfonamido)-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-butoxybenzoate;2-(diethylamino)ethyl 3-butoxy-4-[[(2R)-2-(tert-butylcarbamoylamino)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate;2-(diethylamino)ethyl 3-butoxy-4-[[(2R)-2-(ethylcarbamoylamino)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate;2-(diethylamino)ethyl 3-butoxy-4-[[(2R)-2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate?

The IUPAC name of tert-butyl N-[(2R)-1-(2,4-dipropoxyanilino)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate;2-(diethylamino)ethyl 4-[[(2R)-2-(benzenesulfonamido)-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-butoxybenzoate;2-(diethylamino)ethyl 3-butoxy-4-[[(2R)-2-(tert-butylcarbamoylamino)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate;2-(diethylamino)ethyl 3-butoxy-4-[[(2R)-2-(ethylcarbamoylamino)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate;2-(diethylamino)ethyl 3-butoxy-4-[[(2R)-2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate (CID 159892989) is tert-butyl N-[(2R)-1-(2,4-dipropoxyanilino)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate;2-(diethylamino)ethyl 4-[[(2R)-2-(benzenesulfonamido)-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-butoxybenzoate;2-(diethylamino)ethyl 3-butoxy-4-[[(2R)-2-(tert-butylcarbamoylamino)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate;2-(diethylamino)ethyl 3-butoxy-4-[[(2R)-2-(ethylcarbamoylamino)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate;2-(diethylamino)ethyl 3-butoxy-4-[[(2R)-2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate.

What is the SMILES notation for tert-butyl N-[(2R)-1-(2,4-dipropoxyanilino)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate;2-(diethylamino)ethyl 4-[[(2R)-2-(benzenesulfonamido)-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-butoxybenzoate;2-(diethylamino)ethyl 3-butoxy-4-[[(2R)-2-(tert-butylcarbamoylamino)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate;2-(diethylamino)ethyl 3-butoxy-4-[[(2R)-2-(ethylcarbamoylamino)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate;2-(diethylamino)ethyl 3-butoxy-4-[[(2R)-2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate?

The canonical SMILES for tert-butyl N-[(2R)-1-(2,4-dipropoxyanilino)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate;2-(diethylamino)ethyl 4-[[(2R)-2-(benzenesulfonamido)-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-butoxybenzoate;2-(diethylamino)ethyl 3-butoxy-4-[[(2R)-2-(tert-butylcarbamoylamino)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate;2-(diethylamino)ethyl 3-butoxy-4-[[(2R)-2-(ethylcarbamoylamino)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate;2-(diethylamino)ethyl 3-butoxy-4-[[(2R)-2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate is CCCCOc1cc(C(=O)OCCN(CC)CC)ccc1NC(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)NC(C)(C)C.CCCCOc1cc(C(=O)OCCN(CC)CC)ccc1NC(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)NCC.CCCCOc1cc(C(=O)OCCN(CC)CC)ccc1NC(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NS(=O)(=O)c1ccccc1.CCCCOc1cc(C(=O)OCCN(CC)CC)ccc1NC(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NS(C)(=O)=O.CCCOc1ccc(NC(=O)[C@@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)OC(C)(C)C)c(OCCC)c1.

What is the InChIKey of tert-butyl N-[(2R)-1-(2,4-dipropoxyanilino)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate;2-(diethylamino)ethyl 4-[[(2R)-2-(benzenesulfonamido)-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-butoxybenzoate;2-(diethylamino)ethyl 3-butoxy-4-[[(2R)-2-(tert-butylcarbamoylamino)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate;2-(diethylamino)ethyl 3-butoxy-4-[[(2R)-2-(ethylcarbamoylamino)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate;2-(diethylamino)ethyl 3-butoxy-4-[[(2R)-2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate?

The InChIKey is NUZMAHSXYSJQCI-UGMPFRQTSA-N. The full InChI is InChI=1S/C39H47N3O7S.C38H52N4O6.C36H48N4O6.C34H45N3O7S.C33H42N2O6/c1-4-7-25-47-37-28-32(39(44)48-26-24-42(5-2)6-3)20-23-35(37)40-38(43)36(41-50(45,46)34-16-12-9-13-17-34)27-30-18-21-33(22-19-30)49-29-31-14-10-8-11-15-31;1-7-10-23-46-34-26-30(36(44)47-24-22-42(8-2)9-3)18-21-32(34)39-35(43)33(40-37(45)41-38(4,5)6)25-28-16-19-31(20-17-28)48-27-29-14-12-11-13-15-29;1-5-9-22-44-33-25-29(35(42)45-23-21-40(7-3)8-4)17-20-31(33)38-34(41)32(39-36(43)37-6-2)24-27-15-18-30(19-16-27)46-26-28-13-11-10-12-14-28;1-5-8-21-42-32-24-28(34(39)43-22-20-37(6-2)7-3)16-19-30(32)35-33(38)31(36-45(4,40)41)23-26-14-17-29(18-15-26)44-25-27-12-10-9-11-13-27;1-6-19-38-27-17-18-28(30(22-27)39-20-7-2)34-31(36)29(35-32(37)41-33(3,4)5)21-24-13-15-26(16-14-24)40-23-25-11-9-8-10-12-25/h8-23,28,36,41H,4-7,24-27,29H2,1-3H3,(H,40,43);11-21,26,33H,7-10,22-25,27H2,1-6H3,(H,39,43)(H2,40,41,45);10-20,25,32H,5-9,21-24,26H2,1-4H3,(H,38,41)(H2,37,39,43);9-19,24,31,36H,5-8,20-23,25H2,1-4H3,(H,35,38);8-18,22,29H,6-7,19-21,23H2,1-5H3,(H,34,36)(H,35,37)/t36-;33-;32-;31-;29-/m11111/s1.

What are the key properties of tert-butyl N-[(2R)-1-(2,4-dipropoxyanilino)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate;2-(diethylamino)ethyl 4-[[(2R)-2-(benzenesulfonamido)-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-butoxybenzoate;2-(diethylamino)ethyl 3-butoxy-4-[[(2R)-2-(tert-butylcarbamoylamino)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate;2-(diethylamino)ethyl 3-butoxy-4-[[(2R)-2-(ethylcarbamoylamino)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate;2-(diethylamino)ethyl 3-butoxy-4-[[(2R)-2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate?

tert-butyl N-[(2R)-1-(2,4-dipropoxyanilino)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate;2-(diethylamino)ethyl 4-[[(2R)-2-(benzenesulfonamido)-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-butoxybenzoate;2-(diethylamino)ethyl 3-butoxy-4-[[(2R)-2-(tert-butylcarbamoylamino)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate;2-(diethylamino)ethyl 3-butoxy-4-[[(2R)-2-(ethylcarbamoylamino)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate;2-(diethylamino)ethyl 3-butoxy-4-[[(2R)-2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate has a molecular weight of 3198.07 g/mol, XLogP of 30.83, 90 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(2R)-1-(2,4-dipropoxyanilino)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate;2-(diethylamino)ethyl 4-[[(2R)-2-(benzenesulfonamido)-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-butoxybenzoate;2-(diethylamino)ethyl 3-butoxy-4-[[(2R)-2-(tert-butylcarbamoylamino)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate;2-(diethylamino)ethyl 3-butoxy-4-[[(2R)-2-(ethylcarbamoylamino)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate;2-(diethylamino)ethyl 3-butoxy-4-[[(2R)-2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate is sourced from PubChem (CID 159892989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).