ethyl 2-[[cyclopropyl(phenyl)methyl]amino]cyclohexane-1-carboxylate

C19H27NO2 — CID 57012477

IUPACethyl 2-[[cyclopropyl(phenyl)methyl]amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCCCC1NC(c1ccccc1)C1CC1
InChIInChI=1S/C19H27NO2/c1-2-22-19(21)16-10-6-7-11-17(16)20-18(15-12-13-15)14-8-4-3-5-9-14/h3-5,8-9,15-18,20H,2,6-7,10-13H2,1H3
InChIKeyMRQARSNNNZSJJF-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.85
Rot. Bonds6

About ethyl 2-[[cyclopropyl(phenyl)methyl]amino]cyclohexane-1-carboxylate

ethyl 2-[[cyclopropyl(phenyl)methyl]amino]cyclohexane-1-carboxylate (PubChem CID 57012477) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is ethyl 2-[[cyclopropyl(phenyl)methyl]amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[cyclopropyl(phenyl)methyl]amino]cyclohexane-1-carboxylate
PubChem CID57012477
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Nameethyl 2-[[cyclopropyl(phenyl)methyl]amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCCCC1NC(c1ccccc1)C1CC1
InChIInChI=1S/C19H27NO2/c1-2-22-19(21)16-10-6-7-11-17(16)20-18(15-12-13-15)14-8-4-3-5-9-14/h3-5,8-9,15-18,20H,2,6-7,10-13H2,1H3
InChIKeyMRQARSNNNZSJJF-UHFFFAOYSA-N
XLogP3.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2S)-2-ethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-amine;trans-ethyl (1S,2S)-2-[[(1S)-1-phenylethyl]amino]cyclohexane-1-carboxylate
CID 159534838
ethyl 1-[[cyclopentyl(phenyl)methyl]carbamoyl]piperidine-4-carboxylate
CID 60551232
ethyl 2-[[cyclohexyl(phenyl)methyl]amino]acetate
CID 60811477
[2-[[cyclopropyl(phenyl)methyl]amino]cyclohexyl]methanol
CID 106359819
2-O-benzyl 1-O-ethyl cyclohexane-1,2-dicarboxylate
CID 138567000
cis-ethyl (1R,2S)-2-[[(2S,5S)-1-oxo-2,5-diphenyl-1λ5-phospholan-1-yl]amino]cyclopentane-1-carboxylate
CID 135033787
ethyl (2S)-2-phenylcyclohexane-1-carboxylate
CID 101094608
ethyl (1R)-2-[[(1R)-1-phenylethyl]amino]cyclohexane-1-carboxylate;methane;trans-(1R,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylic acid;hydrochloride
CID 158882423
(3R,4S)-3-ethoxycarbonyl-4-(1-phenylethylamino)piperidine-1-carboxylic acid
CID 170313768
N-[cyclopropyl(phenyl)methyl]-2-methylsulfanylcyclohexan-1-amine
CID 103776484
ethyl (3R,4R)-3-[[(1S)-1-phenylethyl]amino]oxane-4-carboxylate
CID 86708998
ethyl (1R,2S,3R)-2-hydroxy-3-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 10245512

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[cyclopropyl(phenyl)methyl]amino]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 2-[[cyclopropyl(phenyl)methyl]amino]cyclohexane-1-carboxylate (CID 57012477) is ethyl 2-[[cyclopropyl(phenyl)methyl]amino]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 2-[[cyclopropyl(phenyl)methyl]amino]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 2-[[cyclopropyl(phenyl)methyl]amino]cyclohexane-1-carboxylate is CCOC(=O)C1CCCCC1NC(c1ccccc1)C1CC1.
What is the InChIKey of ethyl 2-[[cyclopropyl(phenyl)methyl]amino]cyclohexane-1-carboxylate?
The InChIKey is MRQARSNNNZSJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c1-2-22-19(21)16-10-6-7-11-17(16)20-18(15-12-13-15)14-8-4-3-5-9-14/h3-5,8-9,15-18,20H,2,6-7,10-13H2,1H3.
What are the key properties of ethyl 2-[[cyclopropyl(phenyl)methyl]amino]cyclohexane-1-carboxylate?
ethyl 2-[[cyclopropyl(phenyl)methyl]amino]cyclohexane-1-carboxylate has a molecular weight of 301.43 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[cyclopropyl(phenyl)methyl]amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 57012477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).