N-[2-(aminomethyl)cyclopentyl]-4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide;hydrochloride

C21H35ClN4O2 — CID 119601704

IUPACN-[2-(aminomethyl)cyclopentyl]-4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide;hydrochloride
SMILESCc1ccc(CNC(=O)NC(CC(C)C)C(=O)NC2CCCC2CN)cc1.Cl
InChIInChI=1S/C21H34N4O2.ClH/c1-14(2)11-19(20(26)24-18-6-4-5-17(18)12-22)25-21(27)23-13-16-9-7-15(3)8-10-16;/h7-10,14,17-19H,4-6,11-13,22H2,1-3H3,(H,24,26)(H2,23,25,27);1H
InChIKeyUFDSNJDWYSVYEU-UHFFFAOYSA-N
MW410.99 g/mol
LogP2.87
Rot. Bonds8

About N-[2-(aminomethyl)cyclopentyl]-4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide;hydrochloride (PubChem CID 119601704) has the molecular formula C21H35ClN4O2 and a molecular weight of 410.99 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide;hydrochloride
PubChem CID119601704
Molecular FormulaC21H35ClN4O2
Molecular Weight410.99 g/mol
Exact Mass410.24
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide;hydrochloride
SMILESCc1ccc(CNC(=O)NC(CC(C)C)C(=O)NC2CCCC2CN)cc1.Cl
InChIInChI=1S/C21H34N4O2.ClH/c1-14(2)11-19(20(26)24-18-6-4-5-17(18)12-22)25-21(27)23-13-16-9-7-15(3)8-10-16;/h7-10,14,17-19H,4-6,11-13,22H2,1-3H3,(H,24,26)(H2,23,25,27);1H
InChIKeyUFDSNJDWYSVYEU-UHFFFAOYSA-N
XLogP2.87
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.99
LogP ≤ 52.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze N-[2-(aminomethyl)cyclopentyl]-4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide;hydrochloride with MolForge

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Related Compounds

4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]-N-pyrrolidin-3-ylpentanamide;hydrochloride
CID 119450650
1-[[4-[(1R)-1-aminoethyl]phenyl]methyl]-3-[2-(aminomethyl)cyclopentyl]urea
CID 167802021
4-methyl-N-[2-(methylamino)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide;hydrochloride
CID 119501003
1-[1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-4-methyl-1-oxopentan-2-yl]-3-[(4-methylphenyl)methyl]urea;hydrochloride
CID 120657725
N-[2-(aminomethyl)cyclopentyl]-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide;hydrochloride
CID 119600623
N-[2-(aminomethyl)cyclohexyl]-2-methylbutanamide;hydrochloride
CID 119609146
N-[2-(aminomethyl)cyclopentyl]-2,3,3-trimethylbutanamide
CID 119601992
N-[2-(aminomethyl)cyclopentyl]-2-(phenylcarbamoylamino)propanamide;hydrochloride
CID 119602707
2-[(4-methylphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64817088
2-amino-N-[2-(aminomethyl)cyclopentyl]propanamide
CID 130609723
N-[2-(aminomethyl)cyclopentyl]-2-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 119604312
N-[2-(aminomethyl)cyclopentyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride
CID 119601158

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide;hydrochloride (CID 119601704) is N-[2-(aminomethyl)cyclopentyl]-4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide;hydrochloride is Cc1ccc(CNC(=O)NC(CC(C)C)C(=O)NC2CCCC2CN)cc1.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide;hydrochloride?
The InChIKey is UFDSNJDWYSVYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2.ClH/c1-14(2)11-19(20(26)24-18-6-4-5-17(18)12-22)25-21(27)23-13-16-9-7-15(3)8-10-16;/h7-10,14,17-19H,4-6,11-13,22H2,1-3H3,(H,24,26)(H2,23,25,27);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide;hydrochloride has a molecular weight of 410.99 g/mol, XLogP of 2.87, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide;hydrochloride is sourced from PubChem (CID 119601704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).