4-(cyclopropylcarbamoylamino)-N,N-dimethylbenzamide

C13H17N3O2 — CID 47181034

IUPAC4-(cyclopropylcarbamoylamino)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C13H17N3O2/c1-16(2)12(17)9-3-5-10(6-4-9)14-13(18)15-11-7-8-11/h3-6,11H,7-8H2,1-2H3,(H2,14,15,18)
InChIKeySAVGXFAYSFPQFR-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.67
Rot. Bonds3

About 4-(cyclopropylcarbamoylamino)-N,N-dimethylbenzamide

4-(cyclopropylcarbamoylamino)-N,N-dimethylbenzamide (PubChem CID 47181034) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-(cyclopropylcarbamoylamino)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-(cyclopropylcarbamoylamino)-N,N-dimethylbenzamide
PubChem CID47181034
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name4-(cyclopropylcarbamoylamino)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C13H17N3O2/c1-16(2)12(17)9-3-5-10(6-4-9)14-13(18)15-11-7-8-11/h3-6,11H,7-8H2,1-2H3,(H2,14,15,18)
InChIKeySAVGXFAYSFPQFR-UHFFFAOYSA-N
XLogP1.67
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
4-chloro-N-[4-[(4-hydroxycyclohexyl)carbamoylamino]phenyl]-N-methylbenzamide
CID 60573055
4-chloro-N-[4-(cyclohexylcarbamoylamino)phenyl]-N-methylbenzamide
CID 60572957
N,N-dimethyl-4-(thian-4-ylamino)benzamide
CID 43682033
1-(4-acetylphenyl)-3-(4-aminocyclohexyl)urea
CID 62319447
N-[(5-chlorothiophen-2-yl)methyl]-4-(cyclopropylcarbamoylamino)-N-methylbenzamide
CID 39932630
1-(4-tert-butylphenyl)-3-cyclopropylurea
CID 47127423
4-(cyclopropylcarbamoylamino)-N-phenylbenzamide
CID 39885806
1-(4-aminophenyl)-3-cyclopropylurea
CID 25324133
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
4-(cyclopropylcarbamoylamino)-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 55665974
methyl 4-[(4-methylcyclohexyl)carbamoylamino]benzoate
CID 17217884

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylcarbamoylamino)-N,N-dimethylbenzamide?
The IUPAC name of 4-(cyclopropylcarbamoylamino)-N,N-dimethylbenzamide (CID 47181034) is 4-(cyclopropylcarbamoylamino)-N,N-dimethylbenzamide.
What is the SMILES notation for 4-(cyclopropylcarbamoylamino)-N,N-dimethylbenzamide?
The canonical SMILES for 4-(cyclopropylcarbamoylamino)-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NC(=O)NC2CC2)cc1.
What is the InChIKey of 4-(cyclopropylcarbamoylamino)-N,N-dimethylbenzamide?
The InChIKey is SAVGXFAYSFPQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-16(2)12(17)9-3-5-10(6-4-9)14-13(18)15-11-7-8-11/h3-6,11H,7-8H2,1-2H3,(H2,14,15,18).
What are the key properties of 4-(cyclopropylcarbamoylamino)-N,N-dimethylbenzamide?
4-(cyclopropylcarbamoylamino)-N,N-dimethylbenzamide has a molecular weight of 247.30 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylcarbamoylamino)-N,N-dimethylbenzamide is sourced from PubChem (CID 47181034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).