N-(2-cyanopropyl)-3-(dimethylamino)benzamide

C13H17N3O — CID 62652034

IUPACN-(2-cyanopropyl)-3-(dimethylamino)benzamide
SMILESCC(C#N)CNC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C13H17N3O/c1-10(8-14)9-15-13(17)11-5-4-6-12(7-11)16(2)3/h4-7,10H,9H2,1-3H3,(H,15,17)
InChIKeyWXSZOKJLVKTIDS-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.64
Rot. Bonds4

About N-(2-cyanopropyl)-3-(dimethylamino)benzamide

N-(2-cyanopropyl)-3-(dimethylamino)benzamide (PubChem CID 62652034) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(2-cyanopropyl)-3-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-3-(dimethylamino)benzamide
PubChem CID62652034
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-(2-cyanopropyl)-3-(dimethylamino)benzamide
SMILESCC(C#N)CNC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C13H17N3O/c1-10(8-14)9-15-13(17)11-5-4-6-12(7-11)16(2)3/h4-7,10H,9H2,1-3H3,(H,15,17)
InChIKeyWXSZOKJLVKTIDS-UHFFFAOYSA-N
XLogP1.64
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloropropyl)-3-(dimethylamino)benzamide
CID 114296505
N-(4-amino-2-methylbutyl)-3-(dimethylamino)benzamide
CID 66090676
3-(dimethylamino)-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 42891486
N-(2,2-diethoxyethyl)-3-(dimethylamino)benzamide
CID 78909705
2-[[[3-(dimethylamino)benzoyl]amino]methyl]butanoic acid
CID 65217823
3-(dimethylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 30604269
3-(dimethylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
CID 51941960
3-(dimethylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 47182779
N-butan-2-yl-3-(dimethylamino)benzamide
CID 17310829
N-[(2R)-butan-2-yl]-3-(dimethylamino)benzamide
CID 25345776
N-(2-cyanopropyl)-3-hydroxy-4-iodobenzamide
CID 104628357
4-chloro-N-(2-cyanopropyl)-3-methylbenzamide
CID 112699238

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-3-(dimethylamino)benzamide?
The IUPAC name of N-(2-cyanopropyl)-3-(dimethylamino)benzamide (CID 62652034) is N-(2-cyanopropyl)-3-(dimethylamino)benzamide.
What is the SMILES notation for N-(2-cyanopropyl)-3-(dimethylamino)benzamide?
The canonical SMILES for N-(2-cyanopropyl)-3-(dimethylamino)benzamide is CC(C#N)CNC(=O)c1cccc(N(C)C)c1.
What is the InChIKey of N-(2-cyanopropyl)-3-(dimethylamino)benzamide?
The InChIKey is WXSZOKJLVKTIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10(8-14)9-15-13(17)11-5-4-6-12(7-11)16(2)3/h4-7,10H,9H2,1-3H3,(H,15,17).
What are the key properties of N-(2-cyanopropyl)-3-(dimethylamino)benzamide?
N-(2-cyanopropyl)-3-(dimethylamino)benzamide has a molecular weight of 231.30 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-3-(dimethylamino)benzamide is sourced from PubChem (CID 62652034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).