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

C17H23NO3 — CID 64671366

IUPAC2-[1-[(4-ethylbenzoyl)amino]cyclohexyl]acetic acid
SMILESCCc1ccc(C(=O)NC2(CC(=O)O)CCCCC2)cc1
InChIInChI=1S/C17H23NO3/c1-2-13-6-8-14(9-7-13)16(21)18-17(12-15(19)20)10-4-3-5-11-17/h6-9H,2-5,10-12H2,1H3,(H,18,21)(H,19,20)
InChIKeyHHQGWUPLESRVQL-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.16
Rot. Bonds5

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

2-[1-[(4-ethylbenzoyl)amino]cyclohexyl]acetic acid (PubChem CID 64671366) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[1-[(4-ethylbenzoyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-ethylbenzoyl)amino]cyclohexyl]acetic acid
PubChem CID64671366
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name2-[1-[(4-ethylbenzoyl)amino]cyclohexyl]acetic acid
SMILESCCc1ccc(C(=O)NC2(CC(=O)O)CCCCC2)cc1
InChIInChI=1S/C17H23NO3/c1-2-13-6-8-14(9-7-13)16(21)18-17(12-15(19)20)10-4-3-5-11-17/h6-9H,2-5,10-12H2,1H3,(H,18,21)(H,19,20)
InChIKeyHHQGWUPLESRVQL-UHFFFAOYSA-N
XLogP3.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(4-ethylbenzoyl)amino]cyclopentyl]acetic acid
CID 64673374
2-[4-[(4-ethylbenzoyl)amino]oxan-4-yl]acetic acid
CID 119215520
2-[1-[(4-methylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671347
2-[1-[[4-(aminomethyl)benzoyl]amino]cyclobutyl]acetic acid
CID 79845339
2-[1-[(4-iodobenzoyl)amino]cyclopentyl]acetic acid
CID 64672187
2-[1-[(4-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64670427
1-[(4-ethylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 43341634
2-[1-[(4-ethoxybenzoyl)amino]cyclobutyl]acetic acid
CID 79849172
2-[1-[(4-chlorobenzoyl)amino]cyclobutyl]acetic acid
CID 79845388
2-[1-[[(4-ethylphenyl)-methylcarbamoyl]amino]cyclobutyl]acetic acid
CID 79842490
2-[1-[(3-amino-4-methylbenzoyl)amino]cyclohexyl]acetic acid
CID 64686291
2-[1-(thiophene-3-carbonylamino)cyclohexyl]acetic acid
CID 64670782

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-ethylbenzoyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(4-ethylbenzoyl)amino]cyclohexyl]acetic acid (CID 64671366) is 2-[1-[(4-ethylbenzoyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-ethylbenzoyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(4-ethylbenzoyl)amino]cyclohexyl]acetic acid is CCc1ccc(C(=O)NC2(CC(=O)O)CCCCC2)cc1.
What is the InChIKey of 2-[1-[(4-ethylbenzoyl)amino]cyclohexyl]acetic acid?
The InChIKey is HHQGWUPLESRVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-2-13-6-8-14(9-7-13)16(21)18-17(12-15(19)20)10-4-3-5-11-17/h6-9H,2-5,10-12H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 2-[1-[(4-ethylbenzoyl)amino]cyclohexyl]acetic acid?
2-[1-[(4-ethylbenzoyl)amino]cyclohexyl]acetic acid has a molecular weight of 289.38 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-ethylbenzoyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 64671366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).