N-[2-(aminomethyl)cyclohexyl]-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide

C17H25ClN4O2 — CID 119610394

IUPACN-[2-(aminomethyl)cyclohexyl]-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide
SMILESNCC1CCCCC1NC(=O)CNC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN4O2/c18-14-7-5-12(6-8-14)10-20-17(24)21-11-16(23)22-15-4-2-1-3-13(15)9-19/h5-8,13,15H,1-4,9-11,19H2,(H,22,23)(H2,20,21,24)
InChIKeyVONMFQWSTGGTPT-UHFFFAOYSA-N
MW352.87 g/mol
LogP1.77
Rot. Bonds6

About N-[2-(aminomethyl)cyclohexyl]-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide

N-[2-(aminomethyl)cyclohexyl]-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide (PubChem CID 119610394) has the molecular formula C17H25ClN4O2 and a molecular weight of 352.87 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide
PubChem CID119610394
Molecular FormulaC17H25ClN4O2
Molecular Weight352.87 g/mol
Exact Mass352.17
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide
SMILESNCC1CCCCC1NC(=O)CNC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN4O2/c18-14-7-5-12(6-8-14)10-20-17(24)21-11-16(23)22-15-4-2-1-3-13(15)9-19/h5-8,13,15H,1-4,9-11,19H2,(H,22,23)(H2,20,21,24)
InChIKeyVONMFQWSTGGTPT-UHFFFAOYSA-N
XLogP1.77
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 51.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide;hydrochloride
CID 119590150
N-[2-(aminomethyl)cyclohexyl]-3-(4-chlorophenyl)sulfanylpropanamide
CID 119610524
2-[(4-chlorophenyl)methylcarbamoylamino]-N-pyrrolidin-3-ylacetamide
CID 119451180
N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide
CID 119610794
N-[2-(aminomethyl)cyclohexyl]-2-(4-aminophenyl)acetamide
CID 122080741
1-[(4-chlorophenyl)methyl]-3-(2-methylcyclohexyl)urea
CID 47133576
N-[1-(aminomethyl)cyclopentyl]-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide
CID 119566154
N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]benzamide;hydrochloride
CID 119611319
1-[[4-[(1R)-1-aminoethyl]phenyl]methyl]-3-[2-(aminomethyl)cyclopentyl]urea
CID 167802021
2-acetamido-N-[2-(aminomethyl)cyclohexyl]acetamide;hydrochloride
CID 119610509
N-[2-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenyl)propanamide
CID 119604389
N-[2-(aminomethyl)cyclohexyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 119610103

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide (CID 119610394) is N-[2-(aminomethyl)cyclohexyl]-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide is NCC1CCCCC1NC(=O)CNC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide?
The InChIKey is VONMFQWSTGGTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN4O2/c18-14-7-5-12(6-8-14)10-20-17(24)21-11-16(23)22-15-4-2-1-3-13(15)9-19/h5-8,13,15H,1-4,9-11,19H2,(H,22,23)(H2,20,21,24).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide?
N-[2-(aminomethyl)cyclohexyl]-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide has a molecular weight of 352.87 g/mol, XLogP of 1.77, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide is sourced from PubChem (CID 119610394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).