N-(4-cyanophenyl)-2-[ethyl(methyl)amino]propanamide

C13H17N3O — CID 43263401

IUPACN-(4-cyanophenyl)-2-[ethyl(methyl)amino]propanamide
SMILESCCN(C)C(C)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C13H17N3O/c1-4-16(3)10(2)13(17)15-12-7-5-11(9-14)6-8-12/h5-8,10H,4H2,1-3H3,(H,15,17)
InChIKeyTYEDHIASYFVTLR-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.84
Rot. Bonds4

About N-(4-cyanophenyl)-2-[ethyl(methyl)amino]propanamide

N-(4-cyanophenyl)-2-[ethyl(methyl)amino]propanamide (PubChem CID 43263401) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[ethyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[ethyl(methyl)amino]propanamide
PubChem CID43263401
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-(4-cyanophenyl)-2-[ethyl(methyl)amino]propanamide
SMILESCCN(C)C(C)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C13H17N3O/c1-4-16(3)10(2)13(17)15-12-7-5-11(9-14)6-8-12/h5-8,10H,4H2,1-3H3,(H,15,17)
InChIKeyTYEDHIASYFVTLR-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide
CID 43215756
2-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide
CID 17405256
N-(4-cyanophenyl)-2-[methyl(2-methylbutan-2-yl)amino]propanamide
CID 63981461
N-(4-cyanophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 17437572
N-(4-cyanophenyl)-2-[propan-2-yl(propyl)amino]propanamide
CID 43269553
(2R)-N-(4-cyanophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 9434065
(2R)-N-(4-cyanophenyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]propanamide
CID 2658774
N-(4-cyanophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]propanamide
CID 144587041
N-(4-cyanophenyl)-2-sulfanylpropanamide
CID 107021186
(2S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(4-cyanophenyl)propanamide
CID 8802663
N-(3-cyanophenyl)-2-[methyl(propyl)amino]propanamide
CID 43271245
(2R)-N-(4-cyanophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]propanamide
CID 9436928

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[ethyl(methyl)amino]propanamide?
The IUPAC name of N-(4-cyanophenyl)-2-[ethyl(methyl)amino]propanamide (CID 43263401) is N-(4-cyanophenyl)-2-[ethyl(methyl)amino]propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[ethyl(methyl)amino]propanamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[ethyl(methyl)amino]propanamide is CCN(C)C(C)C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-[ethyl(methyl)amino]propanamide?
The InChIKey is TYEDHIASYFVTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-4-16(3)10(2)13(17)15-12-7-5-11(9-14)6-8-12/h5-8,10H,4H2,1-3H3,(H,15,17).
What are the key properties of N-(4-cyanophenyl)-2-[ethyl(methyl)amino]propanamide?
N-(4-cyanophenyl)-2-[ethyl(methyl)amino]propanamide has a molecular weight of 231.30 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[ethyl(methyl)amino]propanamide is sourced from PubChem (CID 43263401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).