methyl 4-[(3-methoxy-4-propoxyphenyl)methylcarbamoyl]benzoate

C20H23NO5 — CID 46409549

IUPACmethyl 4-[(3-methoxy-4-propoxyphenyl)methylcarbamoyl]benzoate
SMILESCCCOc1ccc(CNC(=O)c2ccc(C(=O)OC)cc2)cc1OC
InChIInChI=1S/C20H23NO5/c1-4-11-26-17-10-5-14(12-18(17)24-2)13-21-19(22)15-6-8-16(9-7-15)20(23)25-3/h5-10,12H,4,11,13H2,1-3H3,(H,21,22)
InChIKeyOWEPPQSQDQYJOC-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.20
Rot. Bonds8

About methyl 4-[(3-methoxy-4-propoxyphenyl)methylcarbamoyl]benzoate

methyl 4-[(3-methoxy-4-propoxyphenyl)methylcarbamoyl]benzoate (PubChem CID 46409549) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is methyl 4-[(3-methoxy-4-propoxyphenyl)methylcarbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(3-methoxy-4-propoxyphenyl)methylcarbamoyl]benzoate
PubChem CID46409549
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Namemethyl 4-[(3-methoxy-4-propoxyphenyl)methylcarbamoyl]benzoate
SMILESCCCOc1ccc(CNC(=O)c2ccc(C(=O)OC)cc2)cc1OC
InChIInChI=1S/C20H23NO5/c1-4-11-26-17-10-5-14(12-18(17)24-2)13-21-19(22)15-6-8-16(9-7-15)20(23)25-3/h5-10,12H,4,11,13H2,1-3H3,(H,21,22)
InChIKeyOWEPPQSQDQYJOC-UHFFFAOYSA-N
XLogP3.20
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[(3-methoxy-4-propoxyphenyl)methylcarbamoyl]benzoate 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-[(3-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide
CID 54777018
4-hexoxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzamide
CID 54776997
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 55632582
N-[(4-dodecoxy-3-methoxyphenyl)methyl]-1-ethylpyridin-1-ium-4-carboxamide
CID 19014561
N-[(3-methoxy-4-propoxyphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide
CID 87040686
4-N-[(3,4-dimethoxyphenyl)methyl]-1-N-pentylbenzene-1,4-dicarboxamide
CID 109048248
N-[(4-dodecoxy-3-methoxyphenyl)methyl]-1-propylpyridin-1-ium-4-carboxamide iodide
CID 19015279
N-[(3,4-dimethoxyphenyl)methyl]-4-sulfanylbenzamide
CID 107023018
4-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 23087734
4-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 8852512
tert-butyl N-[(3-methoxy-4-propoxyphenyl)methyl]carbamate
CID 54777005
1-N,4-N-bis[(3-methoxy-4-propoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 54777189

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-methoxy-4-propoxyphenyl)methylcarbamoyl]benzoate?
The IUPAC name of methyl 4-[(3-methoxy-4-propoxyphenyl)methylcarbamoyl]benzoate (CID 46409549) is methyl 4-[(3-methoxy-4-propoxyphenyl)methylcarbamoyl]benzoate.
What is the SMILES notation for methyl 4-[(3-methoxy-4-propoxyphenyl)methylcarbamoyl]benzoate?
The canonical SMILES for methyl 4-[(3-methoxy-4-propoxyphenyl)methylcarbamoyl]benzoate is CCCOc1ccc(CNC(=O)c2ccc(C(=O)OC)cc2)cc1OC.
What is the InChIKey of methyl 4-[(3-methoxy-4-propoxyphenyl)methylcarbamoyl]benzoate?
The InChIKey is OWEPPQSQDQYJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-4-11-26-17-10-5-14(12-18(17)24-2)13-21-19(22)15-6-8-16(9-7-15)20(23)25-3/h5-10,12H,4,11,13H2,1-3H3,(H,21,22).
What are the key properties of methyl 4-[(3-methoxy-4-propoxyphenyl)methylcarbamoyl]benzoate?
methyl 4-[(3-methoxy-4-propoxyphenyl)methylcarbamoyl]benzoate has a molecular weight of 357.41 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-methoxy-4-propoxyphenyl)methylcarbamoyl]benzoate is sourced from PubChem (CID 46409549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).