3,5-dimethyl-2-[(1-methylcyclopentyl)carbamoylamino]benzoic acid

C16H22N2O3 — CID 64687474

IUPAC3,5-dimethyl-2-[(1-methylcyclopentyl)carbamoylamino]benzoic acid
SMILESCc1cc(C)c(NC(=O)NC2(C)CCCC2)c(C(=O)O)c1
InChIInChI=1S/C16H22N2O3/c1-10-8-11(2)13(12(9-10)14(19)20)17-15(21)18-16(3)6-4-5-7-16/h8-9H,4-7H2,1-3H3,(H,19,20)(H2,17,18,21)
InChIKeyXQNAOCAXLDLVKD-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.46
Rot. Bonds3

About 3,5-dimethyl-2-[(1-methylcyclopentyl)carbamoylamino]benzoic acid

3,5-dimethyl-2-[(1-methylcyclopentyl)carbamoylamino]benzoic acid (PubChem CID 64687474) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3,5-dimethyl-2-[(1-methylcyclopentyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name3,5-dimethyl-2-[(1-methylcyclopentyl)carbamoylamino]benzoic acid
PubChem CID64687474
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3,5-dimethyl-2-[(1-methylcyclopentyl)carbamoylamino]benzoic acid
SMILESCc1cc(C)c(NC(=O)NC2(C)CCCC2)c(C(=O)O)c1
InChIInChI=1S/C16H22N2O3/c1-10-8-11(2)13(12(9-10)14(19)20)17-15(21)18-16(3)6-4-5-7-16/h8-9H,4-7H2,1-3H3,(H,19,20)(H2,17,18,21)
InChIKeyXQNAOCAXLDLVKD-UHFFFAOYSA-N
XLogP3.46
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3,5-dimethyl-2-[(1-methylcyclopentyl)carbamoylamino]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

3,5-dichloro-2-[(1-methylcyclopentyl)carbamoylamino]benzoic acid
CID 64687670
2-[(2,2-dimethylcyclopentanecarbonyl)amino]-3,5-dimethylbenzoic acid
CID 107175446
3,5-dimethyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]benzoic acid
CID 66475891
3,5-dimethyl-2-(2-methylpropylcarbamoylamino)benzoic acid
CID 63112624
3,5-dimethyl-2-(pentan-3-ylcarbamoylamino)benzoic acid
CID 63112633
4-bromo-2-[(1-methylcyclopentyl)carbamoylamino]benzoic acid
CID 64686873
5-iodo-2-[(1-methylcyclopentyl)carbamoylamino]benzoic acid
CID 64687267
2-[(3-amino-3-oxopropyl)carbamoylamino]-3,5-dimethylbenzoic acid
CID 63112521
2-(2-bromoprop-2-enylcarbamoylamino)-3,5-dimethylbenzoic acid
CID 113465144
2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-3,5-dimethylbenzoic acid
CID 63112474
2-(1-ethoxypropan-2-ylcarbamoylamino)-3,5-dimethylbenzoic acid
CID 63112547
3,5-dimethyl-2-[[2-(oxolan-2-yl)acetyl]amino]benzoic acid
CID 65156897

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[(1-methylcyclopentyl)carbamoylamino]benzoic acid?
The IUPAC name of 3,5-dimethyl-2-[(1-methylcyclopentyl)carbamoylamino]benzoic acid (CID 64687474) is 3,5-dimethyl-2-[(1-methylcyclopentyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 3,5-dimethyl-2-[(1-methylcyclopentyl)carbamoylamino]benzoic acid?
The canonical SMILES for 3,5-dimethyl-2-[(1-methylcyclopentyl)carbamoylamino]benzoic acid is Cc1cc(C)c(NC(=O)NC2(C)CCCC2)c(C(=O)O)c1.
What is the InChIKey of 3,5-dimethyl-2-[(1-methylcyclopentyl)carbamoylamino]benzoic acid?
The InChIKey is XQNAOCAXLDLVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10-8-11(2)13(12(9-10)14(19)20)17-15(21)18-16(3)6-4-5-7-16/h8-9H,4-7H2,1-3H3,(H,19,20)(H2,17,18,21).
What are the key properties of 3,5-dimethyl-2-[(1-methylcyclopentyl)carbamoylamino]benzoic acid?
3,5-dimethyl-2-[(1-methylcyclopentyl)carbamoylamino]benzoic acid has a molecular weight of 290.36 g/mol, XLogP of 3.46, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[(1-methylcyclopentyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 64687474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).