ethyl 4-[(2-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylate

C18H26N2O3 — CID 119297434

IUPACethyl 4-[(2-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NC(=O)C(N)Cc2ccccc2)CC1
InChIInChI=1S/C18H26N2O3/c1-2-23-18(22)14-8-10-15(11-9-14)20-17(21)16(19)12-13-6-4-3-5-7-13/h3-7,14-16H,2,8-12,19H2,1H3,(H,20,21)
InChIKeyUHDMUKMIYLPAKK-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.79
Rot. Bonds6

About ethyl 4-[(2-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylate

ethyl 4-[(2-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylate (PubChem CID 119297434) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is ethyl 4-[(2-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylate
PubChem CID119297434
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Nameethyl 4-[(2-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NC(=O)C(N)Cc2ccccc2)CC1
InChIInChI=1S/C18H26N2O3/c1-2-23-18(22)14-8-10-15(11-9-14)20-17(21)16(19)12-13-6-4-3-5-7-13/h3-7,14-16H,2,8-12,19H2,1H3,(H,20,21)
InChIKeyUHDMUKMIYLPAKK-UHFFFAOYSA-N
XLogP1.79
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(4-ethylcyclohexyl)-3-phenylpropanamide
CID 61470376
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclohexane-1-carboxamide;hydrochloride
CID 119319374
(2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 14837100
cis-(1R,3S)-3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322850
(2S)-2-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide
CID 119285391
ethyl 4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxylate
CID 119738180
2-amino-N-(1-ethylpiperidin-4-yl)-3-phenylpropanamide
CID 61039141
ethyl 4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxylate;hydrochloride
CID 119738179
(2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
CID 91079232
(2R)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3-phenylpropanamide
CID 55030074
(2R)-2-amino-N-(3,4-dimethylcyclohexyl)-3-phenylpropanamide
CID 64741348
2-amino-N-(3,5-dimethylcyclohexyl)-3-phenylpropanamide
CID 64732718

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[(2-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylate (CID 119297434) is ethyl 4-[(2-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[(2-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylate is CCOC(=O)C1CCC(NC(=O)C(N)Cc2ccccc2)CC1.
What is the InChIKey of ethyl 4-[(2-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylate?
The InChIKey is UHDMUKMIYLPAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-2-23-18(22)14-8-10-15(11-9-14)20-17(21)16(19)12-13-6-4-3-5-7-13/h3-7,14-16H,2,8-12,19H2,1H3,(H,20,21).
What are the key properties of ethyl 4-[(2-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylate?
ethyl 4-[(2-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylate has a molecular weight of 318.42 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 119297434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).