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

C16H23NO2 — CID 97355903

IUPACethyl 2-[(1-phenylcyclohexyl)amino]acetate
SMILESCCOC(=O)CNC1(c2ccccc2)CCCCC1
InChIInChI=1S/C16H23NO2/c1-2-19-15(18)13-17-16(11-7-4-8-12-16)14-9-5-3-6-10-14/h3,5-6,9-10,17H,2,4,7-8,11-13H2,1H3
InChIKeyVGKLKWJKNUTJAL-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.00
Rot. Bonds5

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

ethyl 2-[(1-phenylcyclohexyl)amino]acetate (PubChem CID 97355903) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is ethyl 2-[(1-phenylcyclohexyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(1-phenylcyclohexyl)amino]acetate
PubChem CID97355903
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Nameethyl 2-[(1-phenylcyclohexyl)amino]acetate
SMILESCCOC(=O)CNC1(c2ccccc2)CCCCC1
InChIInChI=1S/C16H23NO2/c1-2-19-15(18)13-17-16(11-7-4-8-12-16)14-9-5-3-6-10-14/h3,5-6,9-10,17H,2,4,7-8,11-13H2,1H3
InChIKeyVGKLKWJKNUTJAL-UHFFFAOYSA-N
XLogP3.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-phenylcyclohexyl)amino]acetic acid;hydrochloride
CID 175015594
ethyl N-(1-phenylcyclopentyl)carbamate
CID 110445044
ethyl 2-oxo-2-[(1-phenylcyclohexyl)amino]acetate
CID 110481846
acetic acid;azane;N-ethyl-1-phenylcyclohexan-1-amine
CID 19095095
ethyl 2-[[1-(hydroxymethyl)cyclohexyl]amino]acetate
CID 62520986
ethyl 2-[[1-[1-(2-methoxyphenyl)tetrazol-5-yl]cyclohexyl]amino]acetate
CID 30310135
2-ethoxy-N-(1-phenylcyclobutyl)acetamide
CID 52571502
N-(4-methyl-3-pyridinyl)-2-[(1-phenylcyclohexyl)amino]acetamide
CID 154725397
N-(1-phenylcyclohexyl)butanamide
CID 110478581
ethyl 2-[[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]amino]acetate
CID 53297705
1-O-ethyl 3-O-[1-(2-phenylethynyl)cyclohexyl] propanedioate
CID 10859980
N-benzyl-1-phenylcyclohexan-1-amine
CID 76851721

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-phenylcyclohexyl)amino]acetate?
The IUPAC name of ethyl 2-[(1-phenylcyclohexyl)amino]acetate (CID 97355903) is ethyl 2-[(1-phenylcyclohexyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(1-phenylcyclohexyl)amino]acetate?
The canonical SMILES for ethyl 2-[(1-phenylcyclohexyl)amino]acetate is CCOC(=O)CNC1(c2ccccc2)CCCCC1.
What is the InChIKey of ethyl 2-[(1-phenylcyclohexyl)amino]acetate?
The InChIKey is VGKLKWJKNUTJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-19-15(18)13-17-16(11-7-4-8-12-16)14-9-5-3-6-10-14/h3,5-6,9-10,17H,2,4,7-8,11-13H2,1H3.
What are the key properties of ethyl 2-[(1-phenylcyclohexyl)amino]acetate?
ethyl 2-[(1-phenylcyclohexyl)amino]acetate has a molecular weight of 261.37 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-phenylcyclohexyl)amino]acetate is sourced from PubChem (CID 97355903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).