3-(carbamoylamino)-N-cyclopropyl-N-methylbenzamide

C12H15N3O2 — CID 47415616

IUPAC3-(carbamoylamino)-N-cyclopropyl-N-methylbenzamide
SMILESCN(C(=O)c1cccc(NC(N)=O)c1)C1CC1
InChIInChI=1S/C12H15N3O2/c1-15(10-5-6-10)11(16)8-3-2-4-9(7-8)14-12(13)17/h2-4,7,10H,5-6H2,1H3,(H3,13,14,17)
InChIKeyWNBOZHXMSCCXAH-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.41
Rot. Bonds3

About 3-(carbamoylamino)-N-cyclopropyl-N-methylbenzamide

3-(carbamoylamino)-N-cyclopropyl-N-methylbenzamide (PubChem CID 47415616) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-cyclopropyl-N-methylbenzamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-cyclopropyl-N-methylbenzamide
PubChem CID47415616
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-(carbamoylamino)-N-cyclopropyl-N-methylbenzamide
SMILESCN(C(=O)c1cccc(NC(N)=O)c1)C1CC1
InChIInChI=1S/C12H15N3O2/c1-15(10-5-6-10)11(16)8-3-2-4-9(7-8)14-12(13)17/h2-4,7,10H,5-6H2,1H3,(H3,13,14,17)
InChIKeyWNBOZHXMSCCXAH-UHFFFAOYSA-N
XLogP1.41
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(carbamoylamino)-N-cyclopentyl-N-methylbenzamide
CID 47128702
N-cyclopropyl-3-hydrazinyl-N-methylbenzamide
CID 91201306
N-cyclobutyl-N-methyl-3-(methylamino)benzamide
CID 115160881
3-carbamothioyl-N-cyclopropyl-N-methylbenzamide
CID 43265122
N-cyclopropyl-3-(dimethylamino)-N-methylbenzamide
CID 110744271
3-chloro-N-cyclopropyl-N-methylbenzamide
CID 110726716
3-(carbamoylamino)-N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methylbenzamide
CID 119137838
3-[(3-bromobenzoyl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 112834244
N-cyclohexyl-3-(methanesulfonamido)-N-methylbenzamide
CID 51274732
3-(benzenesulfonamido)-N-cyclohexyl-N-methylbenzamide
CID 27670732
N-(4-aminocyclohexyl)-N,3-dimethylbenzamide
CID 79121288
N-cyclopropyl-N-methyl-3-sulfamoylbenzamide
CID 43265275

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-cyclopropyl-N-methylbenzamide?
The IUPAC name of 3-(carbamoylamino)-N-cyclopropyl-N-methylbenzamide (CID 47415616) is 3-(carbamoylamino)-N-cyclopropyl-N-methylbenzamide.
What is the SMILES notation for 3-(carbamoylamino)-N-cyclopropyl-N-methylbenzamide?
The canonical SMILES for 3-(carbamoylamino)-N-cyclopropyl-N-methylbenzamide is CN(C(=O)c1cccc(NC(N)=O)c1)C1CC1.
What is the InChIKey of 3-(carbamoylamino)-N-cyclopropyl-N-methylbenzamide?
The InChIKey is WNBOZHXMSCCXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-15(10-5-6-10)11(16)8-3-2-4-9(7-8)14-12(13)17/h2-4,7,10H,5-6H2,1H3,(H3,13,14,17).
What are the key properties of 3-(carbamoylamino)-N-cyclopropyl-N-methylbenzamide?
3-(carbamoylamino)-N-cyclopropyl-N-methylbenzamide has a molecular weight of 233.27 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-cyclopropyl-N-methylbenzamide is sourced from PubChem (CID 47415616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).