N-(2-amino-1-cyclohexylethyl)-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide;hydrochloride

C18H28Cl2N4O2 — CID 119590150

IUPACN-(2-amino-1-cyclohexylethyl)-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide;hydrochloride
SMILESCl.NCC(NC(=O)CNC(=O)NCc1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C18H27ClN4O2.ClH/c19-15-8-6-13(7-9-15)11-21-18(25)22-12-17(24)23-16(10-20)14-4-2-1-3-5-14;/h6-9,14,16H,1-5,10-12,20H2,(H,23,24)(H2,21,22,25);1H
InChIKeyMYSOXZQMWOUFJG-UHFFFAOYSA-N
MW403.35 g/mol
LogP2.58
Rot. Bonds7

About N-(2-amino-1-cyclohexylethyl)-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide;hydrochloride (PubChem CID 119590150) has the molecular formula C18H28Cl2N4O2 and a molecular weight of 403.35 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide;hydrochloride
PubChem CID119590150
Molecular FormulaC18H28Cl2N4O2
Molecular Weight403.35 g/mol
Exact Mass402.16
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide;hydrochloride
SMILESCl.NCC(NC(=O)CNC(=O)NCc1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C18H27ClN4O2.ClH/c19-15-8-6-13(7-9-15)11-21-18(25)22-12-17(24)23-16(10-20)14-4-2-1-3-5-14;/h6-9,14,16H,1-5,10-12,20H2,(H,23,24)(H2,21,22,25);1H
InChIKeyMYSOXZQMWOUFJG-UHFFFAOYSA-N
XLogP2.58
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.35
LogP ≤ 52.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide
CID 119610394
N-(2-amino-1-cyclohexylethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119589829
N-(2-amino-1-cyclohexylethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119591138
2-acetamido-N-(2-amino-1-cyclohexylethyl)acetamide;hydrochloride
CID 119590269
N-(2-amino-1-cyclohexylethyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide;hydrochloride
CID 119589855
N-[1-(aminomethyl)cyclopentyl]-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide
CID 119566154
N-[(4-chlorophenyl)methyl]-2-(cyclooctylamino)acetamide
CID 9265296
N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-3-cyclopentylpropanamide;hydrochloride
CID 119589621
2-[(4-chlorophenyl)methylcarbamoylamino]-N-pyrrolidin-3-ylacetamide
CID 119451180
N-(2-amino-1-cyclohexylethyl)-3-(4-methylphenyl)propanamide;hydrochloride
CID 119589025
methyl (2S)-3-[(4-chlorophenyl)methylamino]-2-cyclopentyl-3-oxopropanoate
CID 804141
N-(2-amino-1-cyclohexylethyl)-3-phenylpropanamide;hydrochloride
CID 119260925

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide;hydrochloride (CID 119590150) is N-(2-amino-1-cyclohexylethyl)-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide;hydrochloride is Cl.NCC(NC(=O)CNC(=O)NCc1ccc(Cl)cc1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide;hydrochloride?
The InChIKey is MYSOXZQMWOUFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN4O2.ClH/c19-15-8-6-13(7-9-15)11-21-18(25)22-12-17(24)23-16(10-20)14-4-2-1-3-5-14;/h6-9,14,16H,1-5,10-12,20H2,(H,23,24)(H2,21,22,25);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide;hydrochloride has a molecular weight of 403.35 g/mol, XLogP of 2.58, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide;hydrochloride is sourced from PubChem (CID 119590150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).