N-(2-amino-1-cyclohexylethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride

C18H26Cl2N2O2 — CID 119591138

IUPACN-(2-amino-1-cyclohexylethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
SMILESCl.NCC(NC(=O)CCC(=O)c1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C18H25ClN2O2.ClH/c19-15-8-6-14(7-9-15)17(22)10-11-18(23)21-16(12-20)13-4-2-1-3-5-13;/h6-9,13,16H,1-5,10-12,20H2,(H,21,23);1H
InChIKeyCNFZSTOXNMXYKR-UHFFFAOYSA-N
MW373.32 g/mol
LogP3.75
Rot. Bonds7

About N-(2-amino-1-cyclohexylethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride (PubChem CID 119591138) has the molecular formula C18H26Cl2N2O2 and a molecular weight of 373.32 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
PubChem CID119591138
Molecular FormulaC18H26Cl2N2O2
Molecular Weight373.32 g/mol
Exact Mass372.14
IUPAC NameN-(2-amino-1-cyclohexylethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
SMILESCl.NCC(NC(=O)CCC(=O)c1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C18H25ClN2O2.ClH/c19-15-8-6-14(7-9-15)17(22)10-11-18(23)21-16(12-20)13-4-2-1-3-5-13;/h6-9,13,16H,1-5,10-12,20H2,(H,21,23);1H
InChIKeyCNFZSTOXNMXYKR-UHFFFAOYSA-N
XLogP3.75
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.32
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-4-(3,4-difluorophenyl)-4-oxobutanamide
CID 119614643
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CID 119590150
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CID 119591807
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CID 119589829
4-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropoxy]benzamide;hydrochloride
CID 119590176
N-(2-amino-1-cyclohexylethyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide;hydrochloride
CID 119589855
N-(2-amino-1-cyclohexylethyl)-3-(4-methylphenyl)propanamide;hydrochloride
CID 119589025
N-(2-amino-1-cyclohexylethyl)-3,4-dichlorobenzamide
CID 81486899
N-(2-amino-1-cyclohexylethyl)pentanamide;hydrochloride
CID 119589343
N-(2-amino-1-cyclohexylethyl)-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetamide;hydrochloride
CID 119591708
N-(2-amino-1-cyclohexylethyl)-2-chlorobenzamide
CID 81487183

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride (CID 119591138) is N-(2-amino-1-cyclohexylethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride is Cl.NCC(NC(=O)CCC(=O)c1ccc(Cl)cc1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride?
The InChIKey is CNFZSTOXNMXYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2.ClH/c19-15-8-6-14(7-9-15)17(22)10-11-18(23)21-16(12-20)13-4-2-1-3-5-13;/h6-9,13,16H,1-5,10-12,20H2,(H,21,23);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride has a molecular weight of 373.32 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride is sourced from PubChem (CID 119591138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).