2-chloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]benzamide

C29H30ClNO3 — CID 142238359

IUPAC2-chloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]benzamide
SMILESC/C=C\C=C(/C)CN(Cc1ccc(OCc2ccccc2)c(OC)c1)C(=O)c1ccccc1Cl
InChIInChI=1S/C29H30ClNO3/c1-4-5-11-22(2)19-31(29(32)25-14-9-10-15-26(25)30)20-24-16-17-27(28(18-24)33-3)34-21-23-12-7-6-8-13-23/h4-18H,19-21H2,1-3H3/b5-4-,22-11+
InChIKeyDQUHVROWIZESEA-WDWJBAEWSA-N
MW476.02 g/mol
LogP7.09
Rot. Bonds10

About 2-chloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]benzamide

2-chloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]benzamide (PubChem CID 142238359) has the molecular formula C29H30ClNO3 and a molecular weight of 476.02 g/mol. Its IUPAC name is 2-chloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]benzamide
PubChem CID142238359
Molecular FormulaC29H30ClNO3
Molecular Weight476.02 g/mol
Exact Mass475.19
IUPAC Name2-chloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]benzamide
SMILESC/C=C\C=C(/C)CN(Cc1ccc(OCc2ccccc2)c(OC)c1)C(=O)c1ccccc1Cl
InChIInChI=1S/C29H30ClNO3/c1-4-5-11-22(2)19-31(29(32)25-14-9-10-15-26(25)30)20-24-16-17-27(28(18-24)33-3)34-21-23-12-7-6-8-13-23/h4-18H,19-21H2,1-3H3/b5-4-,22-11+
InChIKeyDQUHVROWIZESEA-WDWJBAEWSA-N
XLogP7.09
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.02
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-benzyl-2-chloro-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide
CID 42701860
benzyl N-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]carbamate
CID 71214789
N-benzyl-2-chloro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
CID 42657096
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-2-phenylmethoxybenzamide
CID 8933781
N-[3-(3-methoxy-4-phenylmethoxyphenyl)propyl]acetamide
CID 46884554
2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]acetamide
CID 8694017
2,4-dichloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 42704417
1-(2-aminoethyl)-3-benzyl-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]urea
CID 71175731
2-chloro-N-[1-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 55381424
1,3-dibutyl-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]urea
CID 42705085
[5-[[(2-chlorobenzoyl)-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] methanesulfonate
CID 4983938
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 24548570

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]benzamide?
The IUPAC name of 2-chloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]benzamide (CID 142238359) is 2-chloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]benzamide?
The canonical SMILES for 2-chloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]benzamide is C/C=C\C=C(/C)CN(Cc1ccc(OCc2ccccc2)c(OC)c1)C(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]benzamide?
The InChIKey is DQUHVROWIZESEA-WDWJBAEWSA-N. The full InChI is InChI=1S/C29H30ClNO3/c1-4-5-11-22(2)19-31(29(32)25-14-9-10-15-26(25)30)20-24-16-17-27(28(18-24)33-3)34-21-23-12-7-6-8-13-23/h4-18H,19-21H2,1-3H3/b5-4-,22-11+.
What are the key properties of 2-chloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]benzamide?
2-chloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]benzamide has a molecular weight of 476.02 g/mol, XLogP of 7.09, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]benzamide is sourced from PubChem (CID 142238359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).