ethyl 2-[[cyclohexyl(phenyl)methyl]amino]acetate

C17H25NO2 — CID 60811477

IUPACethyl 2-[[cyclohexyl(phenyl)methyl]amino]acetate
SMILESCCOC(=O)CNC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C17H25NO2/c1-2-20-16(19)13-18-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3,5-6,9-10,15,17-18H,2,4,7-8,11-13H2,1H3
InChIKeyFONVSFGNXPNXMD-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.46
Rot. Bonds6

About ethyl 2-[[cyclohexyl(phenyl)methyl]amino]acetate

ethyl 2-[[cyclohexyl(phenyl)methyl]amino]acetate (PubChem CID 60811477) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is ethyl 2-[[cyclohexyl(phenyl)methyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[cyclohexyl(phenyl)methyl]amino]acetate
PubChem CID60811477
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Nameethyl 2-[[cyclohexyl(phenyl)methyl]amino]acetate
SMILESCCOC(=O)CNC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C17H25NO2/c1-2-20-16(19)13-18-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3,5-6,9-10,15,17-18H,2,4,7-8,11-13H2,1H3
InChIKeyFONVSFGNXPNXMD-UHFFFAOYSA-N
XLogP3.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3S)-3-cyclohexyl-3-phenylpropanoate
CID 125468052
ethyl (3S)-3-(benzhydrylamino)-3-cyclohexylpropanoate
CID 102531001
ethyl 2-[[(1S)-1-cyclohexylethyl]amino]acetate
CID 81385124
2-[[cyclopropyl(phenyl)methyl]amino]-N-ethyl-N-methylacetamide
CID 113304647
ethyl 2-(1-phenylpropylamino)acetate
CID 60811471
N-[cyclohexyl(phenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 104759566
ethyl (3S,4R)-4-(benzenesulfonyl)-5-[[[(1S)-1-cyclohexylethyl]amino]methyl]-3-phenylhex-5-enoate
CID 100955917
N-[(S)-cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide
CID 94493852
4-[[cyclohexyl(phenyl)methyl]amino]-3,3-dimethylbutan-1-ol
CID 103917609
N-[cyclobutyl(phenyl)methyl]ethanamine
CID 43489136
ethyl 2-[[cyclopropyl(phenyl)methyl]amino]cyclohexane-1-carboxylate
CID 57012477
2-[[cyclopropyl(phenyl)methyl]amino]-N-methylacetamide
CID 60712191

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[cyclohexyl(phenyl)methyl]amino]acetate?
The IUPAC name of ethyl 2-[[cyclohexyl(phenyl)methyl]amino]acetate (CID 60811477) is ethyl 2-[[cyclohexyl(phenyl)methyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[cyclohexyl(phenyl)methyl]amino]acetate?
The canonical SMILES for ethyl 2-[[cyclohexyl(phenyl)methyl]amino]acetate is CCOC(=O)CNC(c1ccccc1)C1CCCCC1.
What is the InChIKey of ethyl 2-[[cyclohexyl(phenyl)methyl]amino]acetate?
The InChIKey is FONVSFGNXPNXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-20-16(19)13-18-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3,5-6,9-10,15,17-18H,2,4,7-8,11-13H2,1H3.
What are the key properties of ethyl 2-[[cyclohexyl(phenyl)methyl]amino]acetate?
ethyl 2-[[cyclohexyl(phenyl)methyl]amino]acetate has a molecular weight of 275.39 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[cyclohexyl(phenyl)methyl]amino]acetate is sourced from PubChem (CID 60811477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).