2-[(2-ethoxybenzoyl)amino]cyclohexane-1-carboxylic acid

C16H21NO4 — CID 64814568

IUPAC2-[(2-ethoxybenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESCCOc1ccccc1C(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C16H21NO4/c1-2-21-14-10-6-4-8-12(14)15(18)17-13-9-5-3-7-11(13)16(19)20/h4,6,8,10-11,13H,2-3,5,7,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyUURPKIHPDCPTKO-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.46
Rot. Bonds5

About 2-[(2-ethoxybenzoyl)amino]cyclohexane-1-carboxylic acid

2-[(2-ethoxybenzoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 64814568) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[(2-ethoxybenzoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-ethoxybenzoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID64814568
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-[(2-ethoxybenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESCCOc1ccccc1C(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C16H21NO4/c1-2-21-14-10-6-4-8-12(14)15(18)17-13-9-5-3-7-11(13)16(19)20/h4,6,8,10-11,13H,2-3,5,7,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyUURPKIHPDCPTKO-UHFFFAOYSA-N
XLogP2.46
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
CID 76978574
cis-(1S,3R)-3-[(2-ethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677160
2-(2-ethoxyphenyl)cyclohexane-1-carboxylic acid
CID 81008651
2-[(2-iodobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64813949
2-ethoxy-N-[(3S,4R)-3-hydroxyoxan-4-yl]benzamide
CID 91765639
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-ethoxybenzamide
CID 68666556
N-cyclohexyl-2-[(2-ethoxybenzoyl)amino]benzamide
CID 4926381
2-[(2,3-dihydroxybenzoyl)amino]cycloheptane-1-carboxylic acid
CID 114343415
2-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]benzamide
CID 43594205
2-ethoxy-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389363
2-[(3-hydroxy-2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 82809247
N-[(1S,2S)-2-hydroxycyclohexyl]-2-prop-2-enoxybenzamide
CID 104957272

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxybenzoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(2-ethoxybenzoyl)amino]cyclohexane-1-carboxylic acid (CID 64814568) is 2-[(2-ethoxybenzoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-ethoxybenzoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(2-ethoxybenzoyl)amino]cyclohexane-1-carboxylic acid is CCOc1ccccc1C(=O)NC1CCCCC1C(=O)O.
What is the InChIKey of 2-[(2-ethoxybenzoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is UURPKIHPDCPTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-2-21-14-10-6-4-8-12(14)15(18)17-13-9-5-3-7-11(13)16(19)20/h4,6,8,10-11,13H,2-3,5,7,9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(2-ethoxybenzoyl)amino]cyclohexane-1-carboxylic acid?
2-[(2-ethoxybenzoyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxybenzoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64814568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).