N-(2-amino-1-cyclohexylethyl)-3-phenylpropanamide;hydrochloride

C17H27ClN2O — CID 119260925

IUPACN-(2-amino-1-cyclohexylethyl)-3-phenylpropanamide;hydrochloride
SMILESCl.NCC(NC(=O)CCc1ccccc1)C1CCCCC1
InChIInChI=1S/C17H26N2O.ClH/c18-13-16(15-9-5-2-6-10-15)19-17(20)12-11-14-7-3-1-4-8-14;/h1,3-4,7-8,15-16H,2,5-6,9-13,18H2,(H,19,20);1H
InChIKeyIRJZSSRQRFCCMW-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.06
Rot. Bonds6

About N-(2-amino-1-cyclohexylethyl)-3-phenylpropanamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-3-phenylpropanamide;hydrochloride (PubChem CID 119260925) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-3-phenylpropanamide;hydrochloride
PubChem CID119260925
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC NameN-(2-amino-1-cyclohexylethyl)-3-phenylpropanamide;hydrochloride
SMILESCl.NCC(NC(=O)CCc1ccccc1)C1CCCCC1
InChIInChI=1S/C17H26N2O.ClH/c18-13-16(15-9-5-2-6-10-15)19-17(20)12-11-14-7-3-1-4-8-14;/h1,3-4,7-8,15-16H,2,5-6,9-13,18H2,(H,19,20);1H
InChIKeyIRJZSSRQRFCCMW-UHFFFAOYSA-N
XLogP3.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 119589025
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CID 65189008
N-(2-amino-1-cyclohexylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride
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N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]benzamide
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N-(2-amino-1-cyclohexylethyl)-3-methyl-3-phenylbutanamide;hydrochloride
CID 119591290
N-(2-amino-1-cyclopropylethyl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119612928
1-cyclohexyl-N-(2-phenylethyl)ethane-1,2-diamine
CID 57365235
N-(2-amino-1-cyclohexylethyl)pentanamide;hydrochloride
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N-(2-amino-1-cyclohexylethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119591138
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-phenylpropanamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-phenylpropanamide;hydrochloride (CID 119260925) is N-(2-amino-1-cyclohexylethyl)-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-3-phenylpropanamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-3-phenylpropanamide;hydrochloride is Cl.NCC(NC(=O)CCc1ccccc1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-3-phenylpropanamide;hydrochloride?
The InChIKey is IRJZSSRQRFCCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c18-13-16(15-9-5-2-6-10-15)19-17(20)12-11-14-7-3-1-4-8-14;/h1,3-4,7-8,15-16H,2,5-6,9-13,18H2,(H,19,20);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-3-phenylpropanamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-3-phenylpropanamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119260925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).