2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]benzoic acid

C16H22N2O3 — CID 65242547

IUPAC2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]benzoic acid
SMILESCNC1(CC(=O)Nc2ccccc2C(=O)O)CCCCC1
InChIInChI=1S/C16H22N2O3/c1-17-16(9-5-2-6-10-16)11-14(19)18-13-8-4-3-7-12(13)15(20)21/h3-4,7-8,17H,2,5-6,9-11H2,1H3,(H,18,19)(H,20,21)
InChIKeyRXYIGXJZMKEDTN-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.64
Rot. Bonds5

About 2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]benzoic acid

2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]benzoic acid (PubChem CID 65242547) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]benzoic acid
PubChem CID65242547
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]benzoic acid
SMILESCNC1(CC(=O)Nc2ccccc2C(=O)O)CCCCC1
InChIInChI=1S/C16H22N2O3/c1-17-16(9-5-2-6-10-16)11-14(19)18-13-8-4-3-7-12(13)15(20)21/h3-4,7-8,17H,2,5-6,9-11H2,1H3,(H,18,19)(H,20,21)
InChIKeyRXYIGXJZMKEDTN-UHFFFAOYSA-N
XLogP2.64
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(1,2,2-trimethylcyclohexyl)acetyl]amino]benzoic acid
CID 175270088
N-[2-(1-hydroxyethyl)phenyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 65241986
2-[1-(methylamino)cyclohexyl]-N-(2-nitrophenyl)acetamide
CID 65242627
3-[[2-(1-aminocyclohexyl)acetyl]amino]-2-methylbenzoic acid
CID 64683801
2-[[2-(1-phenylcyclohexyl)acetyl]amino]benzamide
CID 18449632
2-[1-(methylamino)cyclohexyl]-N-(3-methylphenyl)acetamide
CID 65240773
2-[1-(methylamino)cyclohexyl]-N-[(1S)-1-phenylethyl]acetamide
CID 65242049
1-[2-[2-(diethylcarbamoyl)anilino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 47704266
2-[(2-cycloheptylacetyl)amino]benzoic acid
CID 114457097
benzyl 2-[1-(methylamino)cyclohexyl]acetate
CID 65240649
N-(3,4-dimethylphenyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240820
N-(3-chloro-4-methylphenyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240524

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]benzoic acid?
The IUPAC name of 2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]benzoic acid (CID 65242547) is 2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]benzoic acid.
What is the SMILES notation for 2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]benzoic acid?
The canonical SMILES for 2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]benzoic acid is CNC1(CC(=O)Nc2ccccc2C(=O)O)CCCCC1.
What is the InChIKey of 2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]benzoic acid?
The InChIKey is RXYIGXJZMKEDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-17-16(9-5-2-6-10-16)11-14(19)18-13-8-4-3-7-12(13)15(20)21/h3-4,7-8,17H,2,5-6,9-11H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]benzoic acid?
2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]benzoic acid has a molecular weight of 290.36 g/mol, XLogP of 2.64, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]benzoic acid is sourced from PubChem (CID 65242547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).