ethyl 2-[(4-cyclohexylbenzoyl)amino]acetate

C17H23NO3 — CID 60547206

IUPACethyl 2-[(4-cyclohexylbenzoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H23NO3/c1-2-21-16(19)12-18-17(20)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h8-11,13H,2-7,12H2,1H3,(H,18,20)
InChIKeyZLJAHWRSIRVVTG-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.03
Rot. Bonds5

About ethyl 2-[(4-cyclohexylbenzoyl)amino]acetate

ethyl 2-[(4-cyclohexylbenzoyl)amino]acetate (PubChem CID 60547206) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is ethyl 2-[(4-cyclohexylbenzoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-cyclohexylbenzoyl)amino]acetate
PubChem CID60547206
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Nameethyl 2-[(4-cyclohexylbenzoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H23NO3/c1-2-21-16(19)12-18-17(20)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h8-11,13H,2-7,12H2,1H3,(H,18,20)
InChIKeyZLJAHWRSIRVVTG-UHFFFAOYSA-N
XLogP3.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(4-cyclopentylbenzoyl)amino]acetate
CID 110487395
N-(2-amino-2-methylpropyl)-4-cyclohexylbenzamide;hydrochloride
CID 119625808
2-[(4-cyclohexylbenzoyl)amino]acetic acid
CID 82485147
4-cyclohexyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 18162781
4-cyclohexyl-N-(2,2,2-trifluoroethyl)benzamide
CID 8900200
4-cyclohexyl-N-[2-(ethylamino)ethyl]benzamide
CID 119504655
4-cyclohexyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 43021818
4-cyclohexyl-N'-methylbenzohydrazide
CID 116846851
N-(3-amino-2-methylpropyl)-4-cyclohexylbenzamide
CID 119995934
ethyl 2-[[2-[(4-aminobenzoyl)amino]acetyl]amino]acetate
CID 60895921
ethyl 4-[4-[(4-cyclohexylbenzoyl)amino]butanoylamino]piperidine-1-carboxylate
CID 39610234
ethyl 2-(naphthalene-2-carbonylamino)acetate
CID 43007593

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-cyclohexylbenzoyl)amino]acetate?
The IUPAC name of ethyl 2-[(4-cyclohexylbenzoyl)amino]acetate (CID 60547206) is ethyl 2-[(4-cyclohexylbenzoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(4-cyclohexylbenzoyl)amino]acetate?
The canonical SMILES for ethyl 2-[(4-cyclohexylbenzoyl)amino]acetate is CCOC(=O)CNC(=O)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of ethyl 2-[(4-cyclohexylbenzoyl)amino]acetate?
The InChIKey is ZLJAHWRSIRVVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-2-21-16(19)12-18-17(20)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h8-11,13H,2-7,12H2,1H3,(H,18,20).
What are the key properties of ethyl 2-[(4-cyclohexylbenzoyl)amino]acetate?
ethyl 2-[(4-cyclohexylbenzoyl)amino]acetate has a molecular weight of 289.38 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-cyclohexylbenzoyl)amino]acetate is sourced from PubChem (CID 60547206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).