N-(2-cyanoethyl)-3-(N-ethylanilino)-N-methylpropanamide

C15H21N3O — CID 43288757

IUPACN-(2-cyanoethyl)-3-(N-ethylanilino)-N-methylpropanamide
SMILESCCN(CCC(=O)N(C)CCC#N)c1ccccc1
InChIInChI=1S/C15H21N3O/c1-3-18(14-8-5-4-6-9-14)13-10-15(19)17(2)12-7-11-16/h4-6,8-9H,3,7,10,12-13H2,1-2H3
InChIKeyMFCGJAYVUALUHW-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.28
Rot. Bonds7

About N-(2-cyanoethyl)-3-(N-ethylanilino)-N-methylpropanamide

N-(2-cyanoethyl)-3-(N-ethylanilino)-N-methylpropanamide (PubChem CID 43288757) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(2-cyanoethyl)-3-(N-ethylanilino)-N-methylpropanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-3-(N-ethylanilino)-N-methylpropanamide
PubChem CID43288757
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-(2-cyanoethyl)-3-(N-ethylanilino)-N-methylpropanamide
SMILESCCN(CCC(=O)N(C)CCC#N)c1ccccc1
InChIInChI=1S/C15H21N3O/c1-3-18(14-8-5-4-6-9-14)13-10-15(19)17(2)12-7-11-16/h4-6,8-9H,3,7,10,12-13H2,1-2H3
InChIKeyMFCGJAYVUALUHW-UHFFFAOYSA-N
XLogP2.28
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(2-cyanoethyl)anilino]acetohydrazide
CID 63570453
N-(2-cyanoethyl)-3-[furan-2-ylmethyl(methyl)amino]-N-methylpropanamide
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N-(2-cyanoethyl)-2-hydroxy-N-methylacetamide
CID 43289856
N-(2-cyanoethyl)-N-methylpropanamide
CID 21036687
N-(2-cyanoethyl)-3-[2-(dimethylamino)ethyl-methylamino]-N-methylpropanamide
CID 55228110
4-(N-ethylanilino)butanoic acid
CID 11390560
N-(2-cyanoethyl)-N-methyl-3-[methyl(pentan-3-yl)amino]propanamide
CID 43571057
2-[2-cyanoethyl(ethyl)amino]benzoic acid
CID 55125536
N-(2-cyanophenyl)-3-(N-ethylanilino)propanamide
CID 43824183
N-(2-cyanoethyl)-N-phenyloctanamide
CID 43085178
N-ethyl-3-(N-ethylanilino)-N-(3-methylphenyl)propanamide
CID 109036586
3-(N-[2-(2-cyanoethylamino)-2-oxoethyl]anilino)propanoic acid
CID 60839580

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-3-(N-ethylanilino)-N-methylpropanamide?
The IUPAC name of N-(2-cyanoethyl)-3-(N-ethylanilino)-N-methylpropanamide (CID 43288757) is N-(2-cyanoethyl)-3-(N-ethylanilino)-N-methylpropanamide.
What is the SMILES notation for N-(2-cyanoethyl)-3-(N-ethylanilino)-N-methylpropanamide?
The canonical SMILES for N-(2-cyanoethyl)-3-(N-ethylanilino)-N-methylpropanamide is CCN(CCC(=O)N(C)CCC#N)c1ccccc1.
What is the InChIKey of N-(2-cyanoethyl)-3-(N-ethylanilino)-N-methylpropanamide?
The InChIKey is MFCGJAYVUALUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-18(14-8-5-4-6-9-14)13-10-15(19)17(2)12-7-11-16/h4-6,8-9H,3,7,10,12-13H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-3-(N-ethylanilino)-N-methylpropanamide?
N-(2-cyanoethyl)-3-(N-ethylanilino)-N-methylpropanamide has a molecular weight of 259.35 g/mol, XLogP of 2.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-3-(N-ethylanilino)-N-methylpropanamide is sourced from PubChem (CID 43288757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).