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

C18H26N2O3 — CID 119738180

IUPACethyl 4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NC(=O)C(CN)c2ccccc2)CC1
InChIInChI=1S/C18H26N2O3/c1-2-23-18(22)14-8-10-15(11-9-14)20-17(21)16(12-19)13-6-4-3-5-7-13/h3-7,14-16H,2,8-12,19H2,1H3,(H,20,21)
InChIKeyQFNMGLINAQZDBJ-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.97
Rot. Bonds6

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

ethyl 4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxylate (PubChem CID 119738180) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is ethyl 4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxylate
PubChem CID119738180
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Nameethyl 4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NC(=O)C(CN)c2ccccc2)CC1
InChIInChI=1S/C18H26N2O3/c1-2-23-18(22)14-8-10-15(11-9-14)20-17(21)16(12-19)13-6-4-3-5-7-13/h3-7,14-16H,2,8-12,19H2,1H3,(H,20,21)
InChIKeyQFNMGLINAQZDBJ-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxylate;hydrochloride
CID 119738179
4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxamide;hydrochloride
CID 119776410
ethyl 1-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxylate
CID 9046776
ethyl 4-[(2-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylate
CID 119297434
3-amino-N-(1-methylpiperidin-4-yl)-2-phenylpropanamide
CID 62877300
ethyl 4-[[2-(aminomethyl)-3-methylbutanoyl]amino]cyclohexane-1-carboxylate
CID 65229579
3-amino-N-(3-methylcyclobutyl)-2-phenylpropanamide
CID 113266937
ethyl 4-(2-methylpropanoylamino)cyclohexane-1-carboxylate
CID 62401052
N-(4-aminocyclohexyl)-2-phenylbutanamide
CID 43653055
3-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpropanamide
CID 119699916
N-[2-[(3-amino-2-phenylpropanoyl)amino]ethyl]cyclopropanecarboxamide
CID 115738013
ethyl (2S)-3-amino-2-phenylpropanoate
CID 848661

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxylate (CID 119738180) is ethyl 4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxylate is CCOC(=O)C1CCC(NC(=O)C(CN)c2ccccc2)CC1.
What is the InChIKey of ethyl 4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxylate?
The InChIKey is QFNMGLINAQZDBJ-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(12-19)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-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxylate?
ethyl 4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxylate has a molecular weight of 318.42 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 119738180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).