4-[(1-aminocyclopropanecarbonyl)amino]-N-methylbenzamide

C12H15N3O2 — CID 65466580

IUPAC4-[(1-aminocyclopropanecarbonyl)amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)C2(N)CC2)cc1
InChIInChI=1S/C12H15N3O2/c1-14-10(16)8-2-4-9(5-3-8)15-11(17)12(13)6-7-12/h2-5H,6-7,13H2,1H3,(H,14,16)(H,15,17)
InChIKeySQBTYWBQSSJYEF-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.48
Rot. Bonds3

About 4-[(1-aminocyclopropanecarbonyl)amino]-N-methylbenzamide

4-[(1-aminocyclopropanecarbonyl)amino]-N-methylbenzamide (PubChem CID 65466580) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-[(1-aminocyclopropanecarbonyl)amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(1-aminocyclopropanecarbonyl)amino]-N-methylbenzamide
PubChem CID65466580
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name4-[(1-aminocyclopropanecarbonyl)amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)C2(N)CC2)cc1
InChIInChI=1S/C12H15N3O2/c1-14-10(16)8-2-4-9(5-3-8)15-11(17)12(13)6-7-12/h2-5H,6-7,13H2,1H3,(H,14,16)(H,15,17)
InChIKeySQBTYWBQSSJYEF-UHFFFAOYSA-N
XLogP0.48
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[4-(methylcarbamoyl)phenyl]oxolane-3-carboxamide
CID 64893330
3-[(1-aminocyclobutanecarbonyl)amino]-N-methylbenzamide
CID 81172976
propan-2-yl 4-[(1-aminocyclopropanecarbonyl)amino]benzoate
CID 65466796
1-amino-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 65466760
1-amino-N-(4-methylsulfanylphenyl)cyclopropane-1-carboxamide
CID 65465467
4-[(1-aminocyclopropanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119684141
4-[(1-aminocyclopropanecarbonyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 119827819
1-amino-N-phenylcyclopropane-1-carboxamide;hydrochloride
CID 75467843
2-[[4-[(1-aminocyclobutanecarbonyl)amino]benzoyl]amino]acetic acid
CID 81173192
1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclopropane-1-carboxamide
CID 119704508
4-[(1-aminocyclohexanecarbonyl)amino]-N-(2-methylbutan-2-yl)benzamide
CID 119297478
1-amino-N-(4-propan-2-ylsulfanylphenyl)cyclopropane-1-carboxamide
CID 115189626

Frequently Asked Questions

What is the IUPAC name of 4-[(1-aminocyclopropanecarbonyl)amino]-N-methylbenzamide?
The IUPAC name of 4-[(1-aminocyclopropanecarbonyl)amino]-N-methylbenzamide (CID 65466580) is 4-[(1-aminocyclopropanecarbonyl)amino]-N-methylbenzamide.
What is the SMILES notation for 4-[(1-aminocyclopropanecarbonyl)amino]-N-methylbenzamide?
The canonical SMILES for 4-[(1-aminocyclopropanecarbonyl)amino]-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)C2(N)CC2)cc1.
What is the InChIKey of 4-[(1-aminocyclopropanecarbonyl)amino]-N-methylbenzamide?
The InChIKey is SQBTYWBQSSJYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-14-10(16)8-2-4-9(5-3-8)15-11(17)12(13)6-7-12/h2-5H,6-7,13H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 4-[(1-aminocyclopropanecarbonyl)amino]-N-methylbenzamide?
4-[(1-aminocyclopropanecarbonyl)amino]-N-methylbenzamide has a molecular weight of 233.27 g/mol, XLogP of 0.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-aminocyclopropanecarbonyl)amino]-N-methylbenzamide is sourced from PubChem (CID 65466580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).