4-butoxy-3,5-dimethoxy-N-[[4-(2-phenylethyl)oxan-4-yl]methyl]benzamide;3,5-dimethoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide;3,5-dimethoxy-N-[[4-(2-phenylethyl)oxan-4-yl]methyl]-4-phenylmethoxybenzamide;3,5-dimethyl-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide

C109H140N6O20 — CID 161306520

IUPAC4-butoxy-3,5-dimethoxy-N-[[4-(2-phenylethyl)oxan-4-yl]methyl]benzamide;3,5-dimethoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide;3,5-dimethoxy-N-[[4-(2-phenylethyl)oxan-4-yl]methyl]-4-phenylmethoxybenzamide;3,5-dimethyl-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide
SMILESCCCCOc1c(OC)cc(C(=O)NCC2(CCc3ccccc3)CCOCC2)cc1OC.COc1cc(C(=O)NCC2(CCc3ccccc3)CCOCC2)cc(OC)c1OCc1ccccc1.COc1cc(C(=O)NCC2(N3CCOCC3)CCOCC2)cc(OC)c1OCc1ccccc1.Cc1cc(C(=O)NCC2(N3CCOCC3)CCOCC2)cc(C)c1OCc1ccccc1
InChIInChI=1S/C30H35NO5.C27H37NO5.C26H34N2O6.C26H34N2O4/c1-33-26-19-25(20-27(34-2)28(26)36-21-24-11-7-4-8-12-24)29(32)31-22-30(15-17-35-18-16-30)14-13-23-9-5-3-6-10-23;1-4-5-15-33-25-23(30-2)18-22(19-24(25)31-3)26(29)28-20-27(13-16-32-17-14-27)12-11-21-9-7-6-8-10-21;1-30-22-16-21(17-23(31-2)24(22)34-18-20-6-4-3-5-7-20)25(29)27-19-26(8-12-32-13-9-26)28-10-14-33-15-11-28;1-20-16-23(17-21(2)24(20)32-18-22-6-4-3-5-7-22)25(29)27-19-26(8-12-30-13-9-26)28-10-14-31-15-11-28/h3-12,19-20H,13-18,21-22H2,1-2H3,(H,31,32);6-10,18-19H,4-5,11-17,20H2,1-3H3,(H,28,29);3-7,16-17H,8-15,18-19H2,1-2H3,(H,27,29);3-7,16-17H,8-15,18-19H2,1-2H3,(H,27,29)
InChIKeyVIHXEFZNXZDPLG-UHFFFAOYSA-N
MW1854.34 g/mol
LogP16.87
Rot. Bonds39

About 4-butoxy-3,5-dimethoxy-N-[[4-(2-phenylethyl)oxan-4-yl]methyl]benzamide;3,5-dimethoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide;3,5-dimethoxy-N-[[4-(2-phenylethyl)oxan-4-yl]methyl]-4-phenylmethoxybenzamide;3,5-dimethyl-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide

4-butoxy-3,5-dimethoxy-N-[[4-(2-phenylethyl)oxan-4-yl]methyl]benzamide;3,5-dimethoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide;3,5-dimethoxy-N-[[4-(2-phenylethyl)oxan-4-yl]methyl]-4-phenylmethoxybenzamide;3,5-dimethyl-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide (PubChem CID 161306520) has the molecular formula C109H140N6O20 and a molecular weight of 1854.34 g/mol. Its IUPAC name is 4-butoxy-3,5-dimethoxy-N-[[4-(2-phenylethyl)oxan-4-yl]methyl]benzamide;3,5-dimethoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide;3,5-dimethoxy-N-[[4-(2-phenylethyl)oxan-4-yl]methyl]-4-phenylmethoxybenzamide;3,5-dimethyl-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide.

Molecular Properties

Compound Name4-butoxy-3,5-dimethoxy-N-[[4-(2-phenylethyl)oxan-4-yl]methyl]benzamide;3,5-dimethoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide;3,5-dimethoxy-N-[[4-(2-phenylethyl)oxan-4-yl]methyl]-4-phenylmethoxybenzamide;3,5-dimethyl-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide
PubChem CID161306520
Molecular FormulaC109H140N6O20
Molecular Weight1854.34 g/mol
Exact Mass1853.01
IUPAC Name4-butoxy-3,5-dimethoxy-N-[[4-(2-phenylethyl)oxan-4-yl]methyl]benzamide;3,5-dimethoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide;3,5-dimethoxy-N-[[4-(2-phenylethyl)oxan-4-yl]methyl]-4-phenylmethoxybenzamide;3,5-dimethyl-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide
SMILESCCCCOc1c(OC)cc(C(=O)NCC2(CCc3ccccc3)CCOCC2)cc1OC.COc1cc(C(=O)NCC2(CCc3ccccc3)CCOCC2)cc(OC)c1OCc1ccccc1.COc1cc(C(=O)NCC2(N3CCOCC3)CCOCC2)cc(OC)c1OCc1ccccc1.Cc1cc(C(=O)NCC2(N3CCOCC3)CCOCC2)cc(C)c1OCc1ccccc1
InChIInChI=1S/C30H35NO5.C27H37NO5.C26H34N2O6.C26H34N2O4/c1-33-26-19-25(20-27(34-2)28(26)36-21-24-11-7-4-8-12-24)29(32)31-22-30(15-17-35-18-16-30)14-13-23-9-5-3-6-10-23;1-4-5-15-33-25-23(30-2)18-22(19-24(25)31-3)26(29)28-20-27(13-16-32-17-14-27)12-11-21-9-7-6-8-10-21;1-30-22-16-21(17-23(31-2)24(22)34-18-20-6-4-3-5-7-20)25(29)27-19-26(8-12-32-13-9-26)28-10-14-33-15-11-28;1-20-16-23(17-21(2)24(20)32-18-22-6-4-3-5-7-22)25(29)27-19-26(8-12-30-13-9-26)28-10-14-31-15-11-28/h3-12,19-20H,13-18,21-22H2,1-2H3,(H,31,32);6-10,18-19H,4-5,11-17,20H2,1-3H3,(H,28,29);3-7,16-17H,8-15,18-19H2,1-2H3,(H,27,29);3-7,16-17H,8-15,18-19H2,1-2H3,(H,27,29)
InChIKeyVIHXEFZNXZDPLG-UHFFFAOYSA-N
XLogP16.87
TPSA270.56 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds39
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001854.34
LogP ≤ 516.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 4-butoxy-3,5-dimethoxy-N-[[4-(2-phenylethyl)oxan-4-yl]methyl]benzamide;3,5-dimethoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide;3,5-dimethoxy-N-[[4-(2-phenylethyl)oxan-4-yl]methyl]-4-phenylmethoxybenzamide;3,5-dimethyl-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3,5-dimethoxy-N-[[4-(2-phenylethyl)oxan-4-yl]methyl]benzamide;3,5-dimethoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide;3,5-dimethoxy-N-[[4-(2-phenylethyl)oxan-4-yl]methyl]-4-phenylmethoxybenzamide;3,5-dimethyl-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide?
The IUPAC name of 4-butoxy-3,5-dimethoxy-N-[[4-(2-phenylethyl)oxan-4-yl]methyl]benzamide;3,5-dimethoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide;3,5-dimethoxy-N-[[4-(2-phenylethyl)oxan-4-yl]methyl]-4-phenylmethoxybenzamide;3,5-dimethyl-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide (CID 161306520) is 4-butoxy-3,5-dimethoxy-N-[[4-(2-phenylethyl)oxan-4-yl]methyl]benzamide;3,5-dimethoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide;3,5-dimethoxy-N-[[4-(2-phenylethyl)oxan-4-yl]methyl]-4-phenylmethoxybenzamide;3,5-dimethyl-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide.
What is the SMILES notation for 4-butoxy-3,5-dimethoxy-N-[[4-(2-phenylethyl)oxan-4-yl]methyl]benzamide;3,5-dimethoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide;3,5-dimethoxy-N-[[4-(2-phenylethyl)oxan-4-yl]methyl]-4-phenylmethoxybenzamide;3,5-dimethyl-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide?
The canonical SMILES for 4-butoxy-3,5-dimethoxy-N-[[4-(2-phenylethyl)oxan-4-yl]methyl]benzamide;3,5-dimethoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide;3,5-dimethoxy-N-[[4-(2-phenylethyl)oxan-4-yl]methyl]-4-phenylmethoxybenzamide;3,5-dimethyl-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide is CCCCOc1c(OC)cc(C(=O)NCC2(CCc3ccccc3)CCOCC2)cc1OC.COc1cc(C(=O)NCC2(CCc3ccccc3)CCOCC2)cc(OC)c1OCc1ccccc1.COc1cc(C(=O)NCC2(N3CCOCC3)CCOCC2)cc(OC)c1OCc1ccccc1.Cc1cc(C(=O)NCC2(N3CCOCC3)CCOCC2)cc(C)c1OCc1ccccc1.
What is the InChIKey of 4-butoxy-3,5-dimethoxy-N-[[4-(2-phenylethyl)oxan-4-yl]methyl]benzamide;3,5-dimethoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide;3,5-dimethoxy-N-[[4-(2-phenylethyl)oxan-4-yl]methyl]-4-phenylmethoxybenzamide;3,5-dimethyl-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide?
The InChIKey is VIHXEFZNXZDPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35NO5.C27H37NO5.C26H34N2O6.C26H34N2O4/c1-33-26-19-25(20-27(34-2)28(26)36-21-24-11-7-4-8-12-24)29(32)31-22-30(15-17-35-18-16-30)14-13-23-9-5-3-6-10-23;1-4-5-15-33-25-23(30-2)18-22(19-24(25)31-3)26(29)28-20-27(13-16-32-17-14-27)12-11-21-9-7-6-8-10-21;1-30-22-16-21(17-23(31-2)24(22)34-18-20-6-4-3-5-7-20)25(29)27-19-26(8-12-32-13-9-26)28-10-14-33-15-11-28;1-20-16-23(17-21(2)24(20)32-18-22-6-4-3-5-7-22)25(29)27-19-26(8-12-30-13-9-26)28-10-14-31-15-11-28/h3-12,19-20H,13-18,21-22H2,1-2H3,(H,31,32);6-10,18-19H,4-5,11-17,20H2,1-3H3,(H,28,29);3-7,16-17H,8-15,18-19H2,1-2H3,(H,27,29);3-7,16-17H,8-15,18-19H2,1-2H3,(H,27,29).
What are the key properties of 4-butoxy-3,5-dimethoxy-N-[[4-(2-phenylethyl)oxan-4-yl]methyl]benzamide;3,5-dimethoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide;3,5-dimethoxy-N-[[4-(2-phenylethyl)oxan-4-yl]methyl]-4-phenylmethoxybenzamide;3,5-dimethyl-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide?
4-butoxy-3,5-dimethoxy-N-[[4-(2-phenylethyl)oxan-4-yl]methyl]benzamide;3,5-dimethoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide;3,5-dimethoxy-N-[[4-(2-phenylethyl)oxan-4-yl]methyl]-4-phenylmethoxybenzamide;3,5-dimethyl-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide has a molecular weight of 1854.34 g/mol, XLogP of 16.87, 39 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3,5-dimethoxy-N-[[4-(2-phenylethyl)oxan-4-yl]methyl]benzamide;3,5-dimethoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide;3,5-dimethoxy-N-[[4-(2-phenylethyl)oxan-4-yl]methyl]-4-phenylmethoxybenzamide;3,5-dimethyl-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide is sourced from PubChem (CID 161306520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).