N-(2-cyanopropyl)-N-ethyl-3-methyl-4-(methylamino)benzamide

C15H21N3O — CID 63213768

IUPACN-(2-cyanopropyl)-N-ethyl-3-methyl-4-(methylamino)benzamide
SMILESCCN(CC(C)C#N)C(=O)c1ccc(NC)c(C)c1
InChIInChI=1S/C15H21N3O/c1-5-18(10-11(2)9-16)15(19)13-6-7-14(17-4)12(3)8-13/h6-8,11,17H,5,10H2,1-4H3
InChIKeyKZUBOVFIJZFNON-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.66
Rot. Bonds5

About N-(2-cyanopropyl)-N-ethyl-3-methyl-4-(methylamino)benzamide

N-(2-cyanopropyl)-N-ethyl-3-methyl-4-(methylamino)benzamide (PubChem CID 63213768) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-ethyl-3-methyl-4-(methylamino)benzamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-ethyl-3-methyl-4-(methylamino)benzamide
PubChem CID63213768
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-(2-cyanopropyl)-N-ethyl-3-methyl-4-(methylamino)benzamide
SMILESCCN(CC(C)C#N)C(=O)c1ccc(NC)c(C)c1
InChIInChI=1S/C15H21N3O/c1-5-18(10-11(2)9-16)15(19)13-6-7-14(17-4)12(3)8-13/h6-8,11,17H,5,10H2,1-4H3
InChIKeyKZUBOVFIJZFNON-UHFFFAOYSA-N
XLogP2.66
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-cyanopropyl)-N-ethyl-3-methylbenzamide
CID 54906117
N-(2-cyanopropyl)-N-ethyl-3,4-dihydroxybenzamide
CID 113358258
N-ethyl-3-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 63213833
N-(2-cyanopropyl)-N-ethyl-4-hydrazinylbenzamide
CID 62248085
3-amino-4-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 54906116
6-bromo-N-(2-cyanopropyl)-N-ethylnaphthalene-2-carboxamide
CID 115283254
3-bromo-4-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 103841866
3-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 54979092
N-(2-cyanopropyl)-N-ethyl-3-hydrazinyl-4-nitrobenzamide
CID 62680537
N-(2-hydroxypropyl)-N,3-dimethyl-4-(methylamino)benzamide
CID 55162088
N,3-dimethyl-4-(methylamino)-N-(2-methylpropyl)benzamide
CID 63210523
N-[(2S)-2-cyanopropyl]-N-ethyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 94649673

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-ethyl-3-methyl-4-(methylamino)benzamide?
The IUPAC name of N-(2-cyanopropyl)-N-ethyl-3-methyl-4-(methylamino)benzamide (CID 63213768) is N-(2-cyanopropyl)-N-ethyl-3-methyl-4-(methylamino)benzamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-ethyl-3-methyl-4-(methylamino)benzamide?
The canonical SMILES for N-(2-cyanopropyl)-N-ethyl-3-methyl-4-(methylamino)benzamide is CCN(CC(C)C#N)C(=O)c1ccc(NC)c(C)c1.
What is the InChIKey of N-(2-cyanopropyl)-N-ethyl-3-methyl-4-(methylamino)benzamide?
The InChIKey is KZUBOVFIJZFNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-5-18(10-11(2)9-16)15(19)13-6-7-14(17-4)12(3)8-13/h6-8,11,17H,5,10H2,1-4H3.
What are the key properties of N-(2-cyanopropyl)-N-ethyl-3-methyl-4-(methylamino)benzamide?
N-(2-cyanopropyl)-N-ethyl-3-methyl-4-(methylamino)benzamide has a molecular weight of 259.35 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-ethyl-3-methyl-4-(methylamino)benzamide is sourced from PubChem (CID 63213768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).