decyl N-[4-[[4-[[3-[2-[2-[[3-[4-[[4-(decoxycarbonylamino)phenyl]methyl]anilino]-2,2-dimethyl-3-oxopropanoyl]amino]ethyl-[[4-[[4-[[2,2-dimethyl-3-oxo-3-(propylamino)propanoyl]amino]phenyl]methyl]phenyl]carbamoyl]amino]ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]phenyl]methyl]phenyl]carbamate;decyl N-[4-[[4-[[2,2-dimethyl-3-oxo-3-(propylamino)propanoyl]amino]phenyl]methyl]phenyl]carbamate

C116H161N13O15 — CID 159450284

IUPACdecyl N-[4-[[4-[[3-[2-[2-[[3-[4-[[4-(decoxycarbonylamino)phenyl]methyl]anilino]-2,2-dimethyl-3-oxopropanoyl]amino]ethyl-[[4-[[4-[[2,2-dimethyl-3-oxo-3-(propylamino)propanoyl]amino]phenyl]methyl]phenyl]carbamoyl]amino]ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]phenyl]methyl]phenyl]carbamate;decyl N-[4-[[4-[[2,2-dimethyl-3-oxo-3-(propylamino)propanoyl]amino]phenyl]methyl]phenyl]carbamate
SMILESCCCCCCCCCCOC(=O)Nc1ccc(Cc2ccc(NC(=O)C(C)(C)C(=O)NCCC)cc2)cc1.CCCCCCCCCCOC(=O)Nc1ccc(Cc2ccc(NC(=O)C(C)(C)C(=O)NCCN(CCNC(=O)C(C)(C)C(=O)Nc3ccc(Cc4ccc(NC(=O)OCCCCCCCCCC)cc4)cc3)C(=O)Nc3ccc(Cc4ccc(NC(=O)C(C)(C)C(=O)NCCC)cc4)cc3)cc2)cc1
InChIInChI=1S/C84H114N10O11.C32H47N3O4/c1-10-13-15-17-19-21-23-25-56-104-80(102)92-71-47-35-65(36-48-71)59-62-29-41-68(42-30-62)89-77(99)83(6,7)74(96)86-52-54-94(79(101)91-70-45-33-64(34-46-70)58-61-27-39-67(40-28-61)88-76(98)82(4,5)73(95)85-51-12-3)55-53-87-75(97)84(8,9)78(100)90-69-43-31-63(32-44-69)60-66-37-49-72(50-38-66)93-81(103)105-57-26-24-22-20-18-16-14-11-2;1-5-7-8-9-10-11-12-13-23-39-31(38)35-28-20-16-26(17-21-28)24-25-14-18-27(19-15-25)34-30(37)32(3,4)29(36)33-22-6-2/h27-50H,10-26,51-60H2,1-9H3,(H,85,95)(H,86,96)(H,87,97)(H,88,98)(H,89,99)(H,90,100)(H,91,101)(H,92,102)(H,93,103);14-21H,5-13,22-24H2,1-4H3,(H,33,36)(H,34,37)(H,35,38)
InChIKeyLTHBRLYEEACELD-UHFFFAOYSA-N
MW1977.64 g/mol
LogP24.18
Rot. Bonds61

About decyl N-[4-[[4-[[3-[2-[2-[[3-[4-[[4-(decoxycarbonylamino)phenyl]methyl]anilino]-2,2-dimethyl-3-oxopropanoyl]amino]ethyl-[[4-[[4-[[2,2-dimethyl-3-oxo-3-(propylamino)propanoyl]amino]phenyl]methyl]phenyl]carbamoyl]amino]ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]phenyl]methyl]phenyl]carbamate;decyl N-[4-[[4-[[2,2-dimethyl-3-oxo-3-(propylamino)propanoyl]amino]phenyl]methyl]phenyl]carbamate

decyl N-[4-[[4-[[3-[2-[2-[[3-[4-[[4-(decoxycarbonylamino)phenyl]methyl]anilino]-2,2-dimethyl-3-oxopropanoyl]amino]ethyl-[[4-[[4-[[2,2-dimethyl-3-oxo-3-(propylamino)propanoyl]amino]phenyl]methyl]phenyl]carbamoyl]amino]ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]phenyl]methyl]phenyl]carbamate;decyl N-[4-[[4-[[2,2-dimethyl-3-oxo-3-(propylamino)propanoyl]amino]phenyl]methyl]phenyl]carbamate (PubChem CID 159450284) has the molecular formula C116H161N13O15 and a molecular weight of 1977.64 g/mol. Its IUPAC name is decyl N-[4-[[4-[[3-[2-[2-[[3-[4-[[4-(decoxycarbonylamino)phenyl]methyl]anilino]-2,2-dimethyl-3-oxopropanoyl]amino]ethyl-[[4-[[4-[[2,2-dimethyl-3-oxo-3-(propylamino)propanoyl]amino]phenyl]methyl]phenyl]carbamoyl]amino]ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]phenyl]methyl]phenyl]carbamate;decyl N-[4-[[4-[[2,2-dimethyl-3-oxo-3-(propylamino)propanoyl]amino]phenyl]methyl]phenyl]carbamate.

Molecular Properties

Compound Namedecyl N-[4-[[4-[[3-[2-[2-[[3-[4-[[4-(decoxycarbonylamino)phenyl]methyl]anilino]-2,2-dimethyl-3-oxopropanoyl]amino]ethyl-[[4-[[4-[[2,2-dimethyl-3-oxo-3-(propylamino)propanoyl]amino]phenyl]methyl]phenyl]carbamoyl]amino]ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]phenyl]methyl]phenyl]carbamate;decyl N-[4-[[4-[[2,2-dimethyl-3-oxo-3-(propylamino)propanoyl]amino]phenyl]methyl]phenyl]carbamate
PubChem CID159450284
Molecular FormulaC116H161N13O15
Molecular Weight1977.64 g/mol
Exact Mass1976.22
IUPAC Namedecyl N-[4-[[4-[[3-[2-[2-[[3-[4-[[4-(decoxycarbonylamino)phenyl]methyl]anilino]-2,2-dimethyl-3-oxopropanoyl]amino]ethyl-[[4-[[4-[[2,2-dimethyl-3-oxo-3-(propylamino)propanoyl]amino]phenyl]methyl]phenyl]carbamoyl]amino]ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]phenyl]methyl]phenyl]carbamate;decyl N-[4-[[4-[[2,2-dimethyl-3-oxo-3-(propylamino)propanoyl]amino]phenyl]methyl]phenyl]carbamate
SMILESCCCCCCCCCCOC(=O)Nc1ccc(Cc2ccc(NC(=O)C(C)(C)C(=O)NCCC)cc2)cc1.CCCCCCCCCCOC(=O)Nc1ccc(Cc2ccc(NC(=O)C(C)(C)C(=O)NCCN(CCNC(=O)C(C)(C)C(=O)Nc3ccc(Cc4ccc(NC(=O)OCCCCCCCCCC)cc4)cc3)C(=O)Nc3ccc(Cc4ccc(NC(=O)C(C)(C)C(=O)NCCC)cc4)cc3)cc2)cc1
InChIInChI=1S/C84H114N10O11.C32H47N3O4/c1-10-13-15-17-19-21-23-25-56-104-80(102)92-71-47-35-65(36-48-71)59-62-29-41-68(42-30-62)89-77(99)83(6,7)74(96)86-52-54-94(79(101)91-70-45-33-64(34-46-70)58-61-27-39-67(40-28-61)88-76(98)82(4,5)73(95)85-51-12-3)55-53-87-75(97)84(8,9)78(100)90-69-43-31-63(32-44-69)60-66-37-49-72(50-38-66)93-81(103)105-57-26-24-22-20-18-16-14-11-2;1-5-7-8-9-10-11-12-13-23-39-31(38)35-28-20-16-26(17-21-28)24-25-14-18-27(19-15-25)34-30(37)32(3,4)29(36)33-22-6-2/h27-50H,10-26,51-60H2,1-9H3,(H,85,95)(H,86,96)(H,87,97)(H,88,98)(H,89,99)(H,90,100)(H,91,101)(H,92,102)(H,93,103);14-21H,5-13,22-24H2,1-4H3,(H,33,36)(H,34,37)(H,35,38)
InChIKeyLTHBRLYEEACELD-UHFFFAOYSA-N
XLogP24.18
TPSA380.13 Ų
H-Bond Donors12
H-Bond Acceptors15
Rotatable Bonds61
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001977.64
LogP ≤ 524.18
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze decyl N-[4-[[4-[[3-[2-[2-[[3-[4-[[4-(decoxycarbonylamino)phenyl]methyl]anilino]-2,2-dimethyl-3-oxopropanoyl]amino]ethyl-[[4-[[4-[[2,2-dimethyl-3-oxo-3-(propylamino)propanoyl]amino]phenyl]methyl]phenyl]carbamoyl]amino]ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]phenyl]methyl]phenyl]carbamate;decyl N-[4-[[4-[[2,2-dimethyl-3-oxo-3-(propylamino)propanoyl]amino]phenyl]methyl]phenyl]carbamate with MolForge

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Related Compounds

5-iodopentyl N-[4-[[4-(hexoxycarbonylamino)phenyl]methyl]phenyl]carbamate
CID 163725060
dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
CID 102360236
N-(4-ethylphenyl)-2,2-dimethyl-N'-pentylpropanediamide
CID 108966385
N-butyl-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide
CID 108957863
3-[4-[[4-(dipropylcarbamoylamino)phenyl]methyl]phenyl]-1,1-dipropylurea
CID 3593543
4-[dodecyl(ethyl)amino]butyl N-[4-[4-[dodecyl(ethyl)amino]butoxycarbonylamino]phenyl]carbamate
CID 139953680
octyl N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamate
CID 24836459
dodecyl N-(4-hydroxyphenyl)carbamate
CID 139715223
decyl N-(4-hydroxyphenyl)carbamate
CID 139715215
2-[methyl(tetradecyl)amino]ethyl N-[4-[2-[methyl(tetradecyl)amino]ethoxycarbonylamino]phenyl]carbamate
CID 139952492
2-[decyl(methyl)amino]ethyl N-[4-[2-[decyl(methyl)amino]ethoxycarbonylamino]phenyl]carbamate
CID 139952468
N-(4-tert-butylphenyl)-2,2-dimethyl-N'-pentylpropanediamide
CID 108966394

Frequently Asked Questions

What is the IUPAC name of decyl N-[4-[[4-[[3-[2-[2-[[3-[4-[[4-(decoxycarbonylamino)phenyl]methyl]anilino]-2,2-dimethyl-3-oxopropanoyl]amino]ethyl-[[4-[[4-[[2,2-dimethyl-3-oxo-3-(propylamino)propanoyl]amino]phenyl]methyl]phenyl]carbamoyl]amino]ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]phenyl]methyl]phenyl]carbamate;decyl N-[4-[[4-[[2,2-dimethyl-3-oxo-3-(propylamino)propanoyl]amino]phenyl]methyl]phenyl]carbamate?
The IUPAC name of decyl N-[4-[[4-[[3-[2-[2-[[3-[4-[[4-(decoxycarbonylamino)phenyl]methyl]anilino]-2,2-dimethyl-3-oxopropanoyl]amino]ethyl-[[4-[[4-[[2,2-dimethyl-3-oxo-3-(propylamino)propanoyl]amino]phenyl]methyl]phenyl]carbamoyl]amino]ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]phenyl]methyl]phenyl]carbamate;decyl N-[4-[[4-[[2,2-dimethyl-3-oxo-3-(propylamino)propanoyl]amino]phenyl]methyl]phenyl]carbamate (CID 159450284) is decyl N-[4-[[4-[[3-[2-[2-[[3-[4-[[4-(decoxycarbonylamino)phenyl]methyl]anilino]-2,2-dimethyl-3-oxopropanoyl]amino]ethyl-[[4-[[4-[[2,2-dimethyl-3-oxo-3-(propylamino)propanoyl]amino]phenyl]methyl]phenyl]carbamoyl]amino]ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]phenyl]methyl]phenyl]carbamate;decyl N-[4-[[4-[[2,2-dimethyl-3-oxo-3-(propylamino)propanoyl]amino]phenyl]methyl]phenyl]carbamate.
What is the SMILES notation for decyl N-[4-[[4-[[3-[2-[2-[[3-[4-[[4-(decoxycarbonylamino)phenyl]methyl]anilino]-2,2-dimethyl-3-oxopropanoyl]amino]ethyl-[[4-[[4-[[2,2-dimethyl-3-oxo-3-(propylamino)propanoyl]amino]phenyl]methyl]phenyl]carbamoyl]amino]ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]phenyl]methyl]phenyl]carbamate;decyl N-[4-[[4-[[2,2-dimethyl-3-oxo-3-(propylamino)propanoyl]amino]phenyl]methyl]phenyl]carbamate?
The canonical SMILES for decyl N-[4-[[4-[[3-[2-[2-[[3-[4-[[4-(decoxycarbonylamino)phenyl]methyl]anilino]-2,2-dimethyl-3-oxopropanoyl]amino]ethyl-[[4-[[4-[[2,2-dimethyl-3-oxo-3-(propylamino)propanoyl]amino]phenyl]methyl]phenyl]carbamoyl]amino]ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]phenyl]methyl]phenyl]carbamate;decyl N-[4-[[4-[[2,2-dimethyl-3-oxo-3-(propylamino)propanoyl]amino]phenyl]methyl]phenyl]carbamate is CCCCCCCCCCOC(=O)Nc1ccc(Cc2ccc(NC(=O)C(C)(C)C(=O)NCCC)cc2)cc1.CCCCCCCCCCOC(=O)Nc1ccc(Cc2ccc(NC(=O)C(C)(C)C(=O)NCCN(CCNC(=O)C(C)(C)C(=O)Nc3ccc(Cc4ccc(NC(=O)OCCCCCCCCCC)cc4)cc3)C(=O)Nc3ccc(Cc4ccc(NC(=O)C(C)(C)C(=O)NCCC)cc4)cc3)cc2)cc1.
What is the InChIKey of decyl N-[4-[[4-[[3-[2-[2-[[3-[4-[[4-(decoxycarbonylamino)phenyl]methyl]anilino]-2,2-dimethyl-3-oxopropanoyl]amino]ethyl-[[4-[[4-[[2,2-dimethyl-3-oxo-3-(propylamino)propanoyl]amino]phenyl]methyl]phenyl]carbamoyl]amino]ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]phenyl]methyl]phenyl]carbamate;decyl N-[4-[[4-[[2,2-dimethyl-3-oxo-3-(propylamino)propanoyl]amino]phenyl]methyl]phenyl]carbamate?
The InChIKey is LTHBRLYEEACELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H114N10O11.C32H47N3O4/c1-10-13-15-17-19-21-23-25-56-104-80(102)92-71-47-35-65(36-48-71)59-62-29-41-68(42-30-62)89-77(99)83(6,7)74(96)86-52-54-94(79(101)91-70-45-33-64(34-46-70)58-61-27-39-67(40-28-61)88-76(98)82(4,5)73(95)85-51-12-3)55-53-87-75(97)84(8,9)78(100)90-69-43-31-63(32-44-69)60-66-37-49-72(50-38-66)93-81(103)105-57-26-24-22-20-18-16-14-11-2;1-5-7-8-9-10-11-12-13-23-39-31(38)35-28-20-16-26(17-21-28)24-25-14-18-27(19-15-25)34-30(37)32(3,4)29(36)33-22-6-2/h27-50H,10-26,51-60H2,1-9H3,(H,85,95)(H,86,96)(H,87,97)(H,88,98)(H,89,99)(H,90,100)(H,91,101)(H,92,102)(H,93,103);14-21H,5-13,22-24H2,1-4H3,(H,33,36)(H,34,37)(H,35,38).
What are the key properties of decyl N-[4-[[4-[[3-[2-[2-[[3-[4-[[4-(decoxycarbonylamino)phenyl]methyl]anilino]-2,2-dimethyl-3-oxopropanoyl]amino]ethyl-[[4-[[4-[[2,2-dimethyl-3-oxo-3-(propylamino)propanoyl]amino]phenyl]methyl]phenyl]carbamoyl]amino]ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]phenyl]methyl]phenyl]carbamate;decyl N-[4-[[4-[[2,2-dimethyl-3-oxo-3-(propylamino)propanoyl]amino]phenyl]methyl]phenyl]carbamate?
decyl N-[4-[[4-[[3-[2-[2-[[3-[4-[[4-(decoxycarbonylamino)phenyl]methyl]anilino]-2,2-dimethyl-3-oxopropanoyl]amino]ethyl-[[4-[[4-[[2,2-dimethyl-3-oxo-3-(propylamino)propanoyl]amino]phenyl]methyl]phenyl]carbamoyl]amino]ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]phenyl]methyl]phenyl]carbamate;decyl N-[4-[[4-[[2,2-dimethyl-3-oxo-3-(propylamino)propanoyl]amino]phenyl]methyl]phenyl]carbamate has a molecular weight of 1977.64 g/mol, XLogP of 24.18, 61 rotatable bonds, 12 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for decyl N-[4-[[4-[[3-[2-[2-[[3-[4-[[4-(decoxycarbonylamino)phenyl]methyl]anilino]-2,2-dimethyl-3-oxopropanoyl]amino]ethyl-[[4-[[4-[[2,2-dimethyl-3-oxo-3-(propylamino)propanoyl]amino]phenyl]methyl]phenyl]carbamoyl]amino]ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]phenyl]methyl]phenyl]carbamate;decyl N-[4-[[4-[[2,2-dimethyl-3-oxo-3-(propylamino)propanoyl]amino]phenyl]methyl]phenyl]carbamate is sourced from PubChem (CID 159450284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).