3-[[(3-aminocyclopentanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride

C15H22ClN3O2 — CID 119719955

IUPAC3-[[(3-aminocyclopentanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride
SMILESCNC(=O)c1cccc(CNC(=O)C2CCC(N)C2)c1.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-17-14(19)11-4-2-3-10(7-11)9-18-15(20)12-5-6-13(16)8-12;/h2-4,7,12-13H,5-6,8-9,16H2,1H3,(H,17,19)(H,18,20);1H
InChIKeyUGYJVNLTLLNMMP-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.21
Rot. Bonds4

About 3-[[(3-aminocyclopentanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride

3-[[(3-aminocyclopentanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride (PubChem CID 119719955) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 3-[[(3-aminocyclopentanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-[[(3-aminocyclopentanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride
PubChem CID119719955
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name3-[[(3-aminocyclopentanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride
SMILESCNC(=O)c1cccc(CNC(=O)C2CCC(N)C2)c1.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-17-14(19)11-4-2-3-10(7-11)9-18-15(20)12-5-6-13(16)8-12;/h2-4,7,12-13H,5-6,8-9,16H2,1H3,(H,17,19)(H,18,20);1H
InChIKeyUGYJVNLTLLNMMP-UHFFFAOYSA-N
XLogP1.21
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(3-aminocyclopentanecarbonyl)amino]methyl]benzamide;hydrochloride
CID 119719918
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CID 163334296
3-[[(3-aminocyclohexanecarbonyl)amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride
CID 119722813
2-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120549379
3-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119751138
3-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]benzamide;hydrochloride
CID 119770305
N-[[3-(methylcarbamoyl)phenyl]methyl]-1-prop-2-ynylpiperidine-4-carboxamide
CID 55986573
4-amino-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 60912945
3-[[[(1S,3R,4R)-3-amino-4-hydroxycyclohexanecarbonyl]amino]methyl]-N,N-dimethylbenzamide
CID 155496364
3-amino-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119712572
9-amino-N-[[3-(ethylcarbamoyl)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986134
3-amino-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66033053

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-aminocyclopentanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride?
The IUPAC name of 3-[[(3-aminocyclopentanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride (CID 119719955) is 3-[[(3-aminocyclopentanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride.
What is the SMILES notation for 3-[[(3-aminocyclopentanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride?
The canonical SMILES for 3-[[(3-aminocyclopentanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride is CNC(=O)c1cccc(CNC(=O)C2CCC(N)C2)c1.Cl.
What is the InChIKey of 3-[[(3-aminocyclopentanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride?
The InChIKey is UGYJVNLTLLNMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c1-17-14(19)11-4-2-3-10(7-11)9-18-15(20)12-5-6-13(16)8-12;/h2-4,7,12-13H,5-6,8-9,16H2,1H3,(H,17,19)(H,18,20);1H.
What are the key properties of 3-[[(3-aminocyclopentanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride?
3-[[(3-aminocyclopentanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-aminocyclopentanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 119719955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).