4-[1-(4-cyanophenyl)ethylamino]-N-methylbutanamide

C14H19N3O — CID 63892264

IUPAC4-[1-(4-cyanophenyl)ethylamino]-N-methylbutanamide
SMILESCNC(=O)CCCNC(C)c1ccc(C#N)cc1
InChIInChI=1S/C14H19N3O/c1-11(17-9-3-4-14(18)16-2)13-7-5-12(10-15)6-8-13/h5-8,11,17H,3-4,9H2,1-2H3,(H,16,18)
InChIKeyTWUQOEYDMZSBPI-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.74
Rot. Bonds6

About 4-[1-(4-cyanophenyl)ethylamino]-N-methylbutanamide

4-[1-(4-cyanophenyl)ethylamino]-N-methylbutanamide (PubChem CID 63892264) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-[1-(4-cyanophenyl)ethylamino]-N-methylbutanamide.

Molecular Properties

Compound Name4-[1-(4-cyanophenyl)ethylamino]-N-methylbutanamide
PubChem CID63892264
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-[1-(4-cyanophenyl)ethylamino]-N-methylbutanamide
SMILESCNC(=O)CCCNC(C)c1ccc(C#N)cc1
InChIInChI=1S/C14H19N3O/c1-11(17-9-3-4-14(18)16-2)13-7-5-12(10-15)6-8-13/h5-8,11,17H,3-4,9H2,1-2H3,(H,16,18)
InChIKeyTWUQOEYDMZSBPI-UHFFFAOYSA-N
XLogP1.74
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[1-(5-methylhexylamino)ethyl]benzonitrile
CID 79040522
3-[1-(4-cyanophenyl)ethylamino]-N,N-dimethylpropanamide
CID 54934619
3-[1-(4-cyanophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
CID 115905492
2-[1-(4-cyanophenyl)ethylamino]ethyl carbamate
CID 83209725
4-chloro-N-[1-(4-cyanophenyl)ethyl]butanamide
CID 63307623
N-methyl-4-[[(1S)-1-pyridin-3-ylethyl]amino]butanamide
CID 81405194
N-[1-(4-cyanophenyl)ethyl]octanamide
CID 134035112
2-[[(1R)-1-(4-cyanophenyl)ethyl]amino]ethyl butanoate
CID 174681096
(Z)-4-[1-(4-cyanophenyl)ethylamino]-2-methylbut-2-enoic acid
CID 103240177
3-(4-cyanoanilino)-N-methylpropanamide
CID 60967721
3-chloro-N-[1-(4-cyanophenyl)ethyl]propanamide
CID 43698287
4-[1-[4-(cyanomethoxy)phenyl]ethylamino]butanoic acid
CID 60782816

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-cyanophenyl)ethylamino]-N-methylbutanamide?
The IUPAC name of 4-[1-(4-cyanophenyl)ethylamino]-N-methylbutanamide (CID 63892264) is 4-[1-(4-cyanophenyl)ethylamino]-N-methylbutanamide.
What is the SMILES notation for 4-[1-(4-cyanophenyl)ethylamino]-N-methylbutanamide?
The canonical SMILES for 4-[1-(4-cyanophenyl)ethylamino]-N-methylbutanamide is CNC(=O)CCCNC(C)c1ccc(C#N)cc1.
What is the InChIKey of 4-[1-(4-cyanophenyl)ethylamino]-N-methylbutanamide?
The InChIKey is TWUQOEYDMZSBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(17-9-3-4-14(18)16-2)13-7-5-12(10-15)6-8-13/h5-8,11,17H,3-4,9H2,1-2H3,(H,16,18).
What are the key properties of 4-[1-(4-cyanophenyl)ethylamino]-N-methylbutanamide?
4-[1-(4-cyanophenyl)ethylamino]-N-methylbutanamide has a molecular weight of 245.33 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-cyanophenyl)ethylamino]-N-methylbutanamide is sourced from PubChem (CID 63892264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).