3-[(2-cyanoacetyl)amino]-N-cyclopropylbenzamide

C13H13N3O2 — CID 168520744

IUPAC3-[(2-cyanoacetyl)amino]-N-cyclopropylbenzamide
SMILESN#CCC(=O)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C13H13N3O2/c14-7-6-12(17)15-11-3-1-2-9(8-11)13(18)16-10-4-5-10/h1-3,8,10H,4-6H2,(H,15,17)(H,16,18)
InChIKeyYMRMKDUGQOPZQB-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.43
Rot. Bonds4

About 3-[(2-cyanoacetyl)amino]-N-cyclopropylbenzamide

3-[(2-cyanoacetyl)amino]-N-cyclopropylbenzamide (PubChem CID 168520744) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-[(2-cyanoacetyl)amino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-[(2-cyanoacetyl)amino]-N-cyclopropylbenzamide
PubChem CID168520744
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name3-[(2-cyanoacetyl)amino]-N-cyclopropylbenzamide
SMILESN#CCC(=O)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C13H13N3O2/c14-7-6-12(17)15-11-3-1-2-9(8-11)13(18)16-10-4-5-10/h1-3,8,10H,4-6H2,(H,15,17)(H,16,18)
InChIKeyYMRMKDUGQOPZQB-UHFFFAOYSA-N
XLogP1.43
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-(5-hydroxypentanoylamino)benzamide
CID 79199370
3-[(4-cyanobenzoyl)amino]-N-cyclopropylbenzamide
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3-(carbamoylamino)-N-cyclopropylbenzamide
CID 9210111
3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylbenzamide
CID 17415806
4-[[3-(propanoylamino)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229392
N-cyclopropyl-3-[(2-phenylsulfanylacetyl)amino]benzamide
CID 27447667
N-cyclopropyl-3-[[2-[(2-phenylacetyl)amino]acetyl]amino]benzamide
CID 26110998
N-cyclopropyl-3-(cyclopropylamino)benzamide
CID 103438850
N,N'-bis[3-(cyclohexylcarbamoyl)phenyl]decanediamide
CID 17170648
3-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]-N-cyclopropylbenzamide
CID 26110931
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide
CID 119908377
2-cyano-N-[3-(3,4-dimethylbenzoyl)phenyl]acetamide
CID 168520748

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyanoacetyl)amino]-N-cyclopropylbenzamide?
The IUPAC name of 3-[(2-cyanoacetyl)amino]-N-cyclopropylbenzamide (CID 168520744) is 3-[(2-cyanoacetyl)amino]-N-cyclopropylbenzamide.
What is the SMILES notation for 3-[(2-cyanoacetyl)amino]-N-cyclopropylbenzamide?
The canonical SMILES for 3-[(2-cyanoacetyl)amino]-N-cyclopropylbenzamide is N#CCC(=O)Nc1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of 3-[(2-cyanoacetyl)amino]-N-cyclopropylbenzamide?
The InChIKey is YMRMKDUGQOPZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c14-7-6-12(17)15-11-3-1-2-9(8-11)13(18)16-10-4-5-10/h1-3,8,10H,4-6H2,(H,15,17)(H,16,18).
What are the key properties of 3-[(2-cyanoacetyl)amino]-N-cyclopropylbenzamide?
3-[(2-cyanoacetyl)amino]-N-cyclopropylbenzamide has a molecular weight of 243.27 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyanoacetyl)amino]-N-cyclopropylbenzamide is sourced from PubChem (CID 168520744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).