3-[(3-aminocyclopentanecarbonyl)amino]-4-methoxy-N-methylbenzamide

C15H21N3O3 — CID 119714004

IUPAC3-[(3-aminocyclopentanecarbonyl)amino]-4-methoxy-N-methylbenzamide
SMILESCNC(=O)c1ccc(OC)c(NC(=O)C2CCC(N)C2)c1
InChIInChI=1S/C15H21N3O3/c1-17-14(19)10-4-6-13(21-2)12(8-10)18-15(20)9-3-5-11(16)7-9/h4,6,8-9,11H,3,5,7,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyAPRIBSZOPIBQGI-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.12
Rot. Bonds4

About 3-[(3-aminocyclopentanecarbonyl)amino]-4-methoxy-N-methylbenzamide

3-[(3-aminocyclopentanecarbonyl)amino]-4-methoxy-N-methylbenzamide (PubChem CID 119714004) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[(3-aminocyclopentanecarbonyl)amino]-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name3-[(3-aminocyclopentanecarbonyl)amino]-4-methoxy-N-methylbenzamide
PubChem CID119714004
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-[(3-aminocyclopentanecarbonyl)amino]-4-methoxy-N-methylbenzamide
SMILESCNC(=O)c1ccc(OC)c(NC(=O)C2CCC(N)C2)c1
InChIInChI=1S/C15H21N3O3/c1-17-14(19)10-4-6-13(21-2)12(8-10)18-15(20)9-3-5-11(16)7-9/h4,6,8-9,11H,3,5,7,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyAPRIBSZOPIBQGI-UHFFFAOYSA-N
XLogP1.12
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-methoxy-5-(methylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672574
3-amino-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]cyclopentane-1-carboxamide
CID 119866742
N-[4-[(3-aminocyclopentanecarbonyl)amino]-2,5-dimethoxyphenyl]benzamide
CID 119679316
3-[(3-aminocyclohexanecarbonyl)amino]-N,4-dimethylbenzamide
CID 63044315
N-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride
CID 119791343
3-amino-N-(4-cyano-2-methoxyphenyl)cyclopentane-1-carboxamide
CID 104848920
3-amino-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide
CID 66009354
3-amino-N-(3-chloro-4-methoxyphenyl)cyclopentane-1-carboxamide
CID 66030670
N-(4-acetamido-3-methoxyphenyl)-3-aminocyclopentane-1-carboxamide
CID 66030500
(3R)-1-(dimethylsulfamoyl)-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 95877726
3-amino-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119751512
3-(cyclopentanecarbonylamino)-4-methoxy-N-phenylbenzamide
CID 70686592

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminocyclopentanecarbonyl)amino]-4-methoxy-N-methylbenzamide?
The IUPAC name of 3-[(3-aminocyclopentanecarbonyl)amino]-4-methoxy-N-methylbenzamide (CID 119714004) is 3-[(3-aminocyclopentanecarbonyl)amino]-4-methoxy-N-methylbenzamide.
What is the SMILES notation for 3-[(3-aminocyclopentanecarbonyl)amino]-4-methoxy-N-methylbenzamide?
The canonical SMILES for 3-[(3-aminocyclopentanecarbonyl)amino]-4-methoxy-N-methylbenzamide is CNC(=O)c1ccc(OC)c(NC(=O)C2CCC(N)C2)c1.
What is the InChIKey of 3-[(3-aminocyclopentanecarbonyl)amino]-4-methoxy-N-methylbenzamide?
The InChIKey is APRIBSZOPIBQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-17-14(19)10-4-6-13(21-2)12(8-10)18-15(20)9-3-5-11(16)7-9/h4,6,8-9,11H,3,5,7,16H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 3-[(3-aminocyclopentanecarbonyl)amino]-4-methoxy-N-methylbenzamide?
3-[(3-aminocyclopentanecarbonyl)amino]-4-methoxy-N-methylbenzamide has a molecular weight of 291.35 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminocyclopentanecarbonyl)amino]-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 119714004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).