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

C16H21NO3 — CID 64671347

IUPAC2-[1-[(4-methylbenzoyl)amino]cyclohexyl]acetic acid
SMILESCc1ccc(C(=O)NC2(CC(=O)O)CCCCC2)cc1
InChIInChI=1S/C16H21NO3/c1-12-5-7-13(8-6-12)15(20)17-16(11-14(18)19)9-3-2-4-10-16/h5-8H,2-4,9-11H2,1H3,(H,17,20)(H,18,19)
InChIKeyAFROPHBOAZPTEB-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.90
Rot. Bonds4

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

2-[1-[(4-methylbenzoyl)amino]cyclohexyl]acetic acid (PubChem CID 64671347) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[1-[(4-methylbenzoyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-methylbenzoyl)amino]cyclohexyl]acetic acid
PubChem CID64671347
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-[1-[(4-methylbenzoyl)amino]cyclohexyl]acetic acid
SMILESCc1ccc(C(=O)NC2(CC(=O)O)CCCCC2)cc1
InChIInChI=1S/C16H21NO3/c1-12-5-7-13(8-6-12)15(20)17-16(11-14(18)19)9-3-2-4-10-16/h5-8H,2-4,9-11H2,1H3,(H,17,20)(H,18,19)
InChIKeyAFROPHBOAZPTEB-UHFFFAOYSA-N
XLogP2.90
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(4-ethylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671366
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-amino-4-methylbenzoyl)amino]cyclohexyl]acetic acid
CID 64686291
2-[1-[(4-chlorobenzoyl)amino]cyclobutyl]acetic acid
CID 79845388
2-[1-[(2-hydroxy-5-methylbenzoyl)amino]cyclopentyl]acetic acid
CID 64672001
2-[1-[(3-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848230
2-[1-[[4-(aminomethyl)benzoyl]amino]cyclobutyl]acetic acid
CID 79845339
2-[1-[(4-ethoxybenzoyl)amino]cyclobutyl]acetic acid
CID 79849172
2-[1-[(3-hydroxy-4-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848771
2-[1-(thiophene-3-carbonylamino)cyclohexyl]acetic acid
CID 64670782

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methylbenzoyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(4-methylbenzoyl)amino]cyclohexyl]acetic acid (CID 64671347) is 2-[1-[(4-methylbenzoyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-methylbenzoyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(4-methylbenzoyl)amino]cyclohexyl]acetic acid is Cc1ccc(C(=O)NC2(CC(=O)O)CCCCC2)cc1.
What is the InChIKey of 2-[1-[(4-methylbenzoyl)amino]cyclohexyl]acetic acid?
The InChIKey is AFROPHBOAZPTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-12-5-7-13(8-6-12)15(20)17-16(11-14(18)19)9-3-2-4-10-16/h5-8H,2-4,9-11H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-[1-[(4-methylbenzoyl)amino]cyclohexyl]acetic acid?
2-[1-[(4-methylbenzoyl)amino]cyclohexyl]acetic acid has a molecular weight of 275.35 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methylbenzoyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 64671347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).