N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyanobenzamide

C14H17N3O — CID 113283477

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-3-cyanobenzamide
SMILESCC(CN)(NC(=O)c1cccc(C#N)c1)C1CC1
InChIInChI=1S/C14H17N3O/c1-14(9-16,12-5-6-12)17-13(18)11-4-2-3-10(7-11)8-15/h2-4,7,12H,5-6,9,16H2,1H3,(H,17,18)
InChIKeyUMZHKTXKRHCDNI-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.42
Rot. Bonds4

About N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyanobenzamide

N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyanobenzamide (PubChem CID 113283477) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyanobenzamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-cyanobenzamide
PubChem CID113283477
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-cyanobenzamide
SMILESCC(CN)(NC(=O)c1cccc(C#N)c1)C1CC1
InChIInChI=1S/C14H17N3O/c1-14(9-16,12-5-6-12)17-13(18)11-4-2-3-10(7-11)8-15/h2-4,7,12H,5-6,9,16H2,1H3,(H,17,18)
InChIKeyUMZHKTXKRHCDNI-UHFFFAOYSA-N
XLogP1.42
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(1-amino-2-cyclopropylpropan-2-yl)-3H-benzimidazole-5-carboxamide
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3-cyano-N-(2-methylpentan-2-yl)benzamide
CID 49366750
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
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N-(1-amino-2-cyclopropylpropan-2-yl)-3,5-dimethylbenzamide;hydrochloride
CID 119573720
N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloro-4-methylbenzamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyanobenzamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyanobenzamide (CID 113283477) is N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyanobenzamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyanobenzamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyanobenzamide is CC(CN)(NC(=O)c1cccc(C#N)c1)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyanobenzamide?
The InChIKey is UMZHKTXKRHCDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-14(9-16,12-5-6-12)17-13(18)11-4-2-3-10(7-11)8-15/h2-4,7,12H,5-6,9,16H2,1H3,(H,17,18).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyanobenzamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyanobenzamide has a molecular weight of 243.31 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyanobenzamide is sourced from PubChem (CID 113283477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).