N-[1-(4-cyanophenyl)ethyl]-3,3-dimethylbutanamide

C15H20N2O — CID 47161785

IUPACN-[1-(4-cyanophenyl)ethyl]-3,3-dimethylbutanamide
SMILESCC(NC(=O)CC(C)(C)C)c1ccc(C#N)cc1
InChIInChI=1S/C15H20N2O/c1-11(17-14(18)9-15(2,3)4)13-7-5-12(10-16)6-8-13/h5-8,11H,9H2,1-4H3,(H,17,18)
InChIKeyAKSXACOJPJALQG-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.17
Rot. Bonds3

About N-[1-(4-cyanophenyl)ethyl]-3,3-dimethylbutanamide

N-[1-(4-cyanophenyl)ethyl]-3,3-dimethylbutanamide (PubChem CID 47161785) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[1-(4-cyanophenyl)ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[1-(4-cyanophenyl)ethyl]-3,3-dimethylbutanamide
PubChem CID47161785
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-[1-(4-cyanophenyl)ethyl]-3,3-dimethylbutanamide
SMILESCC(NC(=O)CC(C)(C)C)c1ccc(C#N)cc1
InChIInChI=1S/C15H20N2O/c1-11(17-14(18)9-15(2,3)4)13-7-5-12(10-16)6-8-13/h5-8,11H,9H2,1-4H3,(H,17,18)
InChIKeyAKSXACOJPJALQG-UHFFFAOYSA-N
XLogP3.17
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(4-cyanophenyl)ethyl]-3,3-dimethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[1-(4-cyanophenyl)ethylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62932844
2-bromo-N-[1-(4-cyanophenyl)ethyl]acetamide
CID 63680255
N-[1-(4-aminophenyl)ethyl]-3,3-dimethylbutanamide
CID 43297537
3,3-dimethyl-N-(1-phenylethyl)butanamide
CID 5156149
3-chloro-N-[1-(4-cyanophenyl)ethyl]propanamide
CID 43698287
1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-(4-cyanophenyl)ethyl]urea
CID 94023184
N-[1-(4-cyanophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958173
2-(4-cyanophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 62403132
4-chloro-N-[1-(4-cyanophenyl)ethyl]butanamide
CID 63307623
tert-butyl N-[(1S)-1-(4-cyanophenyl)ethyl]carbamate
CID 59462304
N-[1-(4-cyanophenyl)ethyl]octanamide
CID 134035112
N-[1-(4-cyanophenyl)ethyl]-2-(prop-2-enylamino)acetamide
CID 79286223

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanophenyl)ethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[1-(4-cyanophenyl)ethyl]-3,3-dimethylbutanamide (CID 47161785) is N-[1-(4-cyanophenyl)ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[1-(4-cyanophenyl)ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[1-(4-cyanophenyl)ethyl]-3,3-dimethylbutanamide is CC(NC(=O)CC(C)(C)C)c1ccc(C#N)cc1.
What is the InChIKey of N-[1-(4-cyanophenyl)ethyl]-3,3-dimethylbutanamide?
The InChIKey is AKSXACOJPJALQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11(17-14(18)9-15(2,3)4)13-7-5-12(10-16)6-8-13/h5-8,11H,9H2,1-4H3,(H,17,18).
What are the key properties of N-[1-(4-cyanophenyl)ethyl]-3,3-dimethylbutanamide?
N-[1-(4-cyanophenyl)ethyl]-3,3-dimethylbutanamide has a molecular weight of 244.34 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanophenyl)ethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 47161785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).