3-[(4-carbamoyl-3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid

C16H20N2O4 — CID 120549960

IUPAC3-[(4-carbamoyl-3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1cc(NC(=O)C2CCCC(C(=O)O)C2)ccc1C(N)=O
InChIInChI=1S/C16H20N2O4/c1-9-7-12(5-6-13(9)14(17)19)18-15(20)10-3-2-4-11(8-10)16(21)22/h5-7,10-11H,2-4,8H2,1H3,(H2,17,19)(H,18,20)(H,21,22)
InChIKeyVGTAAYSXWZCMTH-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.92
Rot. Bonds4

About 3-[(4-carbamoyl-3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid

3-[(4-carbamoyl-3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120549960) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-[(4-carbamoyl-3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4-carbamoyl-3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120549960
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name3-[(4-carbamoyl-3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1cc(NC(=O)C2CCCC(C(=O)O)C2)ccc1C(N)=O
InChIInChI=1S/C16H20N2O4/c1-9-7-12(5-6-13(9)14(17)19)18-15(20)10-3-2-4-11(8-10)16(21)22/h5-7,10-11H,2-4,8H2,1H3,(H2,17,19)(H,18,20)(H,21,22)
InChIKeyVGTAAYSXWZCMTH-UHFFFAOYSA-N
XLogP1.92
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-carbamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63790295
3-[(4-bromo-3,5-dimethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 107577238
4-(cyclooctanecarbonylamino)-2-methylbenzoic acid
CID 65019247
4-[(4-carbamoyl-3-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122079465
3-[[3-(cyclohexanecarbonylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120551532
3-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549960
3-[(3-bromo-5-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 107577284
3-amino-N-(4-bromo-3-methylphenyl)cyclohexane-1-carboxamide
CID 63042324
5-[(3-aminocyclopentanecarbonyl)amino]-2-methylbenzamide;hydrochloride
CID 119771531
N-(4-carbamoyl-3-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119318631
3-[(3,5-difluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63783799
3-[(5-fluoro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782434

Frequently Asked Questions

What is the IUPAC name of 3-[(4-carbamoyl-3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(4-carbamoyl-3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 120549960) is 3-[(4-carbamoyl-3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(4-carbamoyl-3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(4-carbamoyl-3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid is Cc1cc(NC(=O)C2CCCC(C(=O)O)C2)ccc1C(N)=O.
What is the InChIKey of 3-[(4-carbamoyl-3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is VGTAAYSXWZCMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-9-7-12(5-6-13(9)14(17)19)18-15(20)10-3-2-4-11(8-10)16(21)22/h5-7,10-11H,2-4,8H2,1H3,(H2,17,19)(H,18,20)(H,21,22).
What are the key properties of 3-[(4-carbamoyl-3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
3-[(4-carbamoyl-3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 304.35 g/mol, XLogP of 1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-carbamoyl-3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120549960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).