ethyl 2-oxo-2-[(1-phenylcyclohexyl)amino]acetate

C16H21NO3 — CID 110481846

IUPACethyl 2-oxo-2-[(1-phenylcyclohexyl)amino]acetate
SMILESCCOC(=O)C(=O)NC1(c2ccccc2)CCCCC1
InChIInChI=1S/C16H21NO3/c1-2-20-15(19)14(18)17-16(11-7-4-8-12-16)13-9-5-3-6-10-13/h3,5-6,9-10H,2,4,7-8,11-12H2,1H3,(H,17,18)
InChIKeyZYWLKHFQXYYKCR-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.53
Rot. Bonds3

About ethyl 2-oxo-2-[(1-phenylcyclohexyl)amino]acetate

ethyl 2-oxo-2-[(1-phenylcyclohexyl)amino]acetate (PubChem CID 110481846) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is ethyl 2-oxo-2-[(1-phenylcyclohexyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-[(1-phenylcyclohexyl)amino]acetate
PubChem CID110481846
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Nameethyl 2-oxo-2-[(1-phenylcyclohexyl)amino]acetate
SMILESCCOC(=O)C(=O)NC1(c2ccccc2)CCCCC1
InChIInChI=1S/C16H21NO3/c1-2-20-15(19)14(18)17-16(11-7-4-8-12-16)13-9-5-3-6-10-13/h3,5-6,9-10H,2,4,7-8,11-12H2,1H3,(H,17,18)
InChIKeyZYWLKHFQXYYKCR-UHFFFAOYSA-N
XLogP2.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-(1-phenylcyclopentyl)carbamate
CID 110445044
ethyl 2-[(1-phenylcyclohexyl)amino]acetate
CID 97355903
ethyl 2-[[1-(3-fluorophenyl)cyclopropyl]amino]-2-oxoacetate
CID 110481889
N-(1-phenylcyclohexyl)butanamide
CID 110478581
ethyl 2-oxo-2-[(1-phenylcyclopropyl)methylamino]acetate
CID 110471120
2-ethoxy-N-(1-phenylcyclobutyl)acetamide
CID 52571502
acetic acid;azane;N-ethyl-1-phenylcyclohexan-1-amine
CID 19095095
4-oxo-4-[(1-phenylcyclohexyl)amino]butanoic acid
CID 110465792
1-(3-methoxypropyl)-3-(1-phenylcyclopentyl)urea
CID 110676480
N-(1-phenylcyclopropyl)propanamide
CID 110441332
4-oxo-4-[(1-phenylcyclopentyl)amino]butanoic acid
CID 110442749
ethyl 4-[(1-phenylcyclobutyl)carbamoylamino]piperidine-1-carboxylate
CID 113216947

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-[(1-phenylcyclohexyl)amino]acetate?
The IUPAC name of ethyl 2-oxo-2-[(1-phenylcyclohexyl)amino]acetate (CID 110481846) is ethyl 2-oxo-2-[(1-phenylcyclohexyl)amino]acetate.
What is the SMILES notation for ethyl 2-oxo-2-[(1-phenylcyclohexyl)amino]acetate?
The canonical SMILES for ethyl 2-oxo-2-[(1-phenylcyclohexyl)amino]acetate is CCOC(=O)C(=O)NC1(c2ccccc2)CCCCC1.
What is the InChIKey of ethyl 2-oxo-2-[(1-phenylcyclohexyl)amino]acetate?
The InChIKey is ZYWLKHFQXYYKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-2-20-15(19)14(18)17-16(11-7-4-8-12-16)13-9-5-3-6-10-13/h3,5-6,9-10H,2,4,7-8,11-12H2,1H3,(H,17,18).
What are the key properties of ethyl 2-oxo-2-[(1-phenylcyclohexyl)amino]acetate?
ethyl 2-oxo-2-[(1-phenylcyclohexyl)amino]acetate has a molecular weight of 275.35 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-[(1-phenylcyclohexyl)amino]acetate is sourced from PubChem (CID 110481846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).