3-[[3-(4-methoxyphenyl)-2-methylpropyl]-methylcarbamoyl]benzoic acid

C20H23NO4 — CID 120695866

IUPAC3-[[3-(4-methoxyphenyl)-2-methylpropyl]-methylcarbamoyl]benzoic acid
SMILESCOc1ccc(CC(C)CN(C)C(=O)c2cccc(C(=O)O)c2)cc1
InChIInChI=1S/C20H23NO4/c1-14(11-15-7-9-18(25-3)10-8-15)13-21(2)19(22)16-5-4-6-17(12-16)20(23)24/h4-10,12,14H,11,13H2,1-3H3,(H,23,24)
InChIKeySMNVONAJIAYDCI-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.34
Rot. Bonds7

About 3-[[3-(4-methoxyphenyl)-2-methylpropyl]-methylcarbamoyl]benzoic acid

3-[[3-(4-methoxyphenyl)-2-methylpropyl]-methylcarbamoyl]benzoic acid (PubChem CID 120695866) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-[[3-(4-methoxyphenyl)-2-methylpropyl]-methylcarbamoyl]benzoic acid.

Molecular Properties

Compound Name3-[[3-(4-methoxyphenyl)-2-methylpropyl]-methylcarbamoyl]benzoic acid
PubChem CID120695866
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name3-[[3-(4-methoxyphenyl)-2-methylpropyl]-methylcarbamoyl]benzoic acid
SMILESCOc1ccc(CC(C)CN(C)C(=O)c2cccc(C(=O)O)c2)cc1
InChIInChI=1S/C20H23NO4/c1-14(11-15-7-9-18(25-3)10-8-15)13-21(2)19(22)16-5-4-6-17(12-16)20(23)24/h4-10,12,14H,11,13H2,1-3H3,(H,23,24)
InChIKeySMNVONAJIAYDCI-UHFFFAOYSA-N
XLogP3.34
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[3-(4-methoxyphenyl)-2-methylpropyl]-methylcarbamoyl]benzoic acid 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

3-[2-hydroxypropyl(methyl)carbamoyl]benzoic acid
CID 62338581
2-hydroxy-N-[3-(4-methoxyphenyl)-2-methylpropyl]-N,2-dimethylpropanamide
CID 122147349
N-[(2S)-2-hydroxy-3-phenylpropyl]-3-methoxy-N-methylbenzamide
CID 125143767
3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 59836606
5-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxylic acid
CID 174499523
5-[[3-(4-methoxyphenyl)-2-methylpropyl]carbamoyl]furan-3-carboxylic acid
CID 120551585
3-[methyl(2-phenylethyl)carbamoyl]benzoic acid
CID 65487165
3-[benzyl-[(4-methoxyphenyl)methyl]amino]benzoic acid
CID 11725248
N-[(4-methoxyphenyl)methyl]-N-methyl-3-methylsulfonylbenzamide
CID 39972148
3-[[3-(4-methoxyphenyl)-2-methylpropyl]carbamoyl-methylamino]propanoic acid
CID 122008074
1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 10144171
N-(2-amino-3-methoxypropyl)-3-methoxy-N-methylbenzamide
CID 63753839

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-methoxyphenyl)-2-methylpropyl]-methylcarbamoyl]benzoic acid?
The IUPAC name of 3-[[3-(4-methoxyphenyl)-2-methylpropyl]-methylcarbamoyl]benzoic acid (CID 120695866) is 3-[[3-(4-methoxyphenyl)-2-methylpropyl]-methylcarbamoyl]benzoic acid.
What is the SMILES notation for 3-[[3-(4-methoxyphenyl)-2-methylpropyl]-methylcarbamoyl]benzoic acid?
The canonical SMILES for 3-[[3-(4-methoxyphenyl)-2-methylpropyl]-methylcarbamoyl]benzoic acid is COc1ccc(CC(C)CN(C)C(=O)c2cccc(C(=O)O)c2)cc1.
What is the InChIKey of 3-[[3-(4-methoxyphenyl)-2-methylpropyl]-methylcarbamoyl]benzoic acid?
The InChIKey is SMNVONAJIAYDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-14(11-15-7-9-18(25-3)10-8-15)13-21(2)19(22)16-5-4-6-17(12-16)20(23)24/h4-10,12,14H,11,13H2,1-3H3,(H,23,24).
What are the key properties of 3-[[3-(4-methoxyphenyl)-2-methylpropyl]-methylcarbamoyl]benzoic acid?
3-[[3-(4-methoxyphenyl)-2-methylpropyl]-methylcarbamoyl]benzoic acid has a molecular weight of 341.41 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-methoxyphenyl)-2-methylpropyl]-methylcarbamoyl]benzoic acid is sourced from PubChem (CID 120695866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).