2-[1-[(3-amino-4-methylbenzoyl)amino]cyclohexyl]acetic acid

C16H22N2O3 — CID 64686291

IUPAC2-[1-[(3-amino-4-methylbenzoyl)amino]cyclohexyl]acetic acid
SMILESCc1ccc(C(=O)NC2(CC(=O)O)CCCCC2)cc1N
InChIInChI=1S/C16H22N2O3/c1-11-5-6-12(9-13(11)17)15(21)18-16(10-14(19)20)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10,17H2,1H3,(H,18,21)(H,19,20)
InChIKeyHWISIHCQHOWXJY-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.48
Rot. Bonds4

About 2-[1-[(3-amino-4-methylbenzoyl)amino]cyclohexyl]acetic acid

2-[1-[(3-amino-4-methylbenzoyl)amino]cyclohexyl]acetic acid (PubChem CID 64686291) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[1-[(3-amino-4-methylbenzoyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-amino-4-methylbenzoyl)amino]cyclohexyl]acetic acid
PubChem CID64686291
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[1-[(3-amino-4-methylbenzoyl)amino]cyclohexyl]acetic acid
SMILESCc1ccc(C(=O)NC2(CC(=O)O)CCCCC2)cc1N
InChIInChI=1S/C16H22N2O3/c1-11-5-6-12(9-13(11)17)15(21)18-16(10-14(19)20)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10,17H2,1H3,(H,18,21)(H,19,20)
InChIKeyHWISIHCQHOWXJY-UHFFFAOYSA-N
XLogP2.48
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(1-ethylcyclobutyl)-4-methylbenzamide
CID 113266948
2-[1-[(3-hydroxy-4-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848771
2-[1-[(4-methylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671347
2-[1-[(4-ethylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671366
2-[1-[(2-methyl-5-sulfamoylbenzoyl)amino]cyclohexyl]acetic acid
CID 91835801
2-[1-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]cyclobutyl]acetic acid
CID 119217243
2-[1-[(3-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848230
2-[1-[(4-ethylbenzoyl)amino]cyclopentyl]acetic acid
CID 64673374
2-[1-[(4-iodobenzoyl)amino]cyclopentyl]acetic acid
CID 64672187
2-[1-[(4-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64670427
2-[1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64672188
3-amino-4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 62524113

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-amino-4-methylbenzoyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(3-amino-4-methylbenzoyl)amino]cyclohexyl]acetic acid (CID 64686291) is 2-[1-[(3-amino-4-methylbenzoyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(3-amino-4-methylbenzoyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(3-amino-4-methylbenzoyl)amino]cyclohexyl]acetic acid is Cc1ccc(C(=O)NC2(CC(=O)O)CCCCC2)cc1N.
What is the InChIKey of 2-[1-[(3-amino-4-methylbenzoyl)amino]cyclohexyl]acetic acid?
The InChIKey is HWISIHCQHOWXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-5-6-12(9-13(11)17)15(21)18-16(10-14(19)20)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10,17H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 2-[1-[(3-amino-4-methylbenzoyl)amino]cyclohexyl]acetic acid?
2-[1-[(3-amino-4-methylbenzoyl)amino]cyclohexyl]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-amino-4-methylbenzoyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 64686291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).