3-[(1-aminocyclobutanecarbonyl)amino]-N-methylbenzamide

C13H17N3O2 — CID 81172976

IUPAC3-[(1-aminocyclobutanecarbonyl)amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)C2(N)CCC2)c1
InChIInChI=1S/C13H17N3O2/c1-15-11(17)9-4-2-5-10(8-9)16-12(18)13(14)6-3-7-13/h2,4-5,8H,3,6-7,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyQPEUDJWYZSXOHL-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.87
Rot. Bonds3

About 3-[(1-aminocyclobutanecarbonyl)amino]-N-methylbenzamide

3-[(1-aminocyclobutanecarbonyl)amino]-N-methylbenzamide (PubChem CID 81172976) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-[(1-aminocyclobutanecarbonyl)amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[(1-aminocyclobutanecarbonyl)amino]-N-methylbenzamide
PubChem CID81172976
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-[(1-aminocyclobutanecarbonyl)amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)C2(N)CCC2)c1
InChIInChI=1S/C13H17N3O2/c1-15-11(17)9-4-2-5-10(8-9)16-12(18)13(14)6-3-7-13/h2,4-5,8H,3,6-7,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyQPEUDJWYZSXOHL-UHFFFAOYSA-N
XLogP0.87
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-aminocyclohexanecarbonyl)amino]benzoic acid
CID 61157848
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3-[(1-aminocyclohexanecarbonyl)amino]-N-(2-amino-2-oxoethyl)benzamide
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4-[(1-aminocyclopropanecarbonyl)amino]-N-methylbenzamide
CID 65466580
3-[(1-aminocyclohexanecarbonyl)amino]-N,N-diethylbenzamide
CID 119269068
1-amino-N-[3-(piperidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide
CID 119298519
3-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-N-methylbenzamide
CID 43000556
3-[(1-aminocyclopentanecarbonyl)amino]-N-(3-ethoxypropyl)benzamide;hydrochloride
CID 119286261
3-[(1-aminocyclohexanecarbonyl)amino]-N-methyl-N-phenylbenzamide
CID 119284412
1-amino-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide
CID 60854804
1-amino-N-(3-cyanophenyl)cyclobutane-1-carboxamide
CID 81179740
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CID 119261882

Frequently Asked Questions

What is the IUPAC name of 3-[(1-aminocyclobutanecarbonyl)amino]-N-methylbenzamide?
The IUPAC name of 3-[(1-aminocyclobutanecarbonyl)amino]-N-methylbenzamide (CID 81172976) is 3-[(1-aminocyclobutanecarbonyl)amino]-N-methylbenzamide.
What is the SMILES notation for 3-[(1-aminocyclobutanecarbonyl)amino]-N-methylbenzamide?
The canonical SMILES for 3-[(1-aminocyclobutanecarbonyl)amino]-N-methylbenzamide is CNC(=O)c1cccc(NC(=O)C2(N)CCC2)c1.
What is the InChIKey of 3-[(1-aminocyclobutanecarbonyl)amino]-N-methylbenzamide?
The InChIKey is QPEUDJWYZSXOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-15-11(17)9-4-2-5-10(8-9)16-12(18)13(14)6-3-7-13/h2,4-5,8H,3,6-7,14H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 3-[(1-aminocyclobutanecarbonyl)amino]-N-methylbenzamide?
3-[(1-aminocyclobutanecarbonyl)amino]-N-methylbenzamide has a molecular weight of 247.30 g/mol, XLogP of 0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-aminocyclobutanecarbonyl)amino]-N-methylbenzamide is sourced from PubChem (CID 81172976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).