2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methylbenzoic acid

C16H22N2O3 — CID 45267881

IUPAC2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methylbenzoic acid
SMILESCc1ccc(NC(=O)N(C)C2CCCCC2)c(C(=O)O)c1
InChIInChI=1S/C16H22N2O3/c1-11-8-9-14(13(10-11)15(19)20)17-16(21)18(2)12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyZUTXOWZQOOETCR-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.49
Rot. Bonds3

About 2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methylbenzoic acid

2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methylbenzoic acid (PubChem CID 45267881) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methylbenzoic acid
PubChem CID45267881
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methylbenzoic acid
SMILESCc1ccc(NC(=O)N(C)C2CCCCC2)c(C(=O)O)c1
InChIInChI=1S/C16H22N2O3/c1-11-8-9-14(13(10-11)15(19)20)17-16(21)18(2)12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyZUTXOWZQOOETCR-UHFFFAOYSA-N
XLogP3.49
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-[[cyclohexyl(methyl)carbamoyl]amino]benzoic acid
CID 61189598
1-cyclohexyl-3-(2,4-dimethylphenyl)-1-methylurea
CID 4089734
4-[[cyclopentyl(methyl)carbamoyl]amino]-3-methylbenzoic acid
CID 61194151
4-bromo-2-[[cyclopentyl(methyl)carbamoyl]amino]benzoic acid
CID 61193976
2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-5-methylbenzoic acid
CID 64520014
3-[[cyclopentyl(methyl)carbamoyl]amino]-4-methylbenzoic acid
CID 61194333
N-cyclopentyl-2-hydrazinyl-N,5-dimethylbenzamide
CID 62513481
1-cyclohexyl-1-methyl-3-(2-methylphenyl)urea
CID 5051501
1-cyclohexyl-3-(2,4-dichlorophenyl)-1-methylurea
CID 4200063
1-cyclohexyl-3-(4-methoxy-2-methylphenyl)-1-methylurea
CID 69479184
2-bromo-5-[[cyclopentyl(methyl)carbamoyl]amino]benzoic acid
CID 115296693
2-[(2-aminocyclohexanecarbonyl)amino]-5-methylbenzoic acid
CID 64823038

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methylbenzoic acid?
The IUPAC name of 2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methylbenzoic acid (CID 45267881) is 2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methylbenzoic acid.
What is the SMILES notation for 2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methylbenzoic acid?
The canonical SMILES for 2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methylbenzoic acid is Cc1ccc(NC(=O)N(C)C2CCCCC2)c(C(=O)O)c1.
What is the InChIKey of 2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methylbenzoic acid?
The InChIKey is ZUTXOWZQOOETCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-8-9-14(13(10-11)15(19)20)17-16(21)18(2)12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methylbenzoic acid?
2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methylbenzoic acid has a molecular weight of 290.36 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methylbenzoic acid is sourced from PubChem (CID 45267881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).