N-[2-(N-acetyl-4-cyanoanilino)ethyl]pentanamide

C16H21N3O2 — CID 113064309

IUPACN-[2-(N-acetyl-4-cyanoanilino)ethyl]pentanamide
SMILESCCCCC(=O)NCCN(C(C)=O)c1ccc(C#N)cc1
InChIInChI=1S/C16H21N3O2/c1-3-4-5-16(21)18-10-11-19(13(2)20)15-8-6-14(12-17)7-9-15/h6-9H,3-5,10-11H2,1-2H3,(H,18,21)
InChIKeyADTRHIYAHPWIEE-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.22
Rot. Bonds7

About N-[2-(N-acetyl-4-cyanoanilino)ethyl]pentanamide

N-[2-(N-acetyl-4-cyanoanilino)ethyl]pentanamide (PubChem CID 113064309) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[2-(N-acetyl-4-cyanoanilino)ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-4-cyanoanilino)ethyl]pentanamide
PubChem CID113064309
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[2-(N-acetyl-4-cyanoanilino)ethyl]pentanamide
SMILESCCCCC(=O)NCCN(C(C)=O)c1ccc(C#N)cc1
InChIInChI=1S/C16H21N3O2/c1-3-4-5-16(21)18-10-11-19(13(2)20)15-8-6-14(12-17)7-9-15/h6-9H,3-5,10-11H2,1-2H3,(H,18,21)
InChIKeyADTRHIYAHPWIEE-UHFFFAOYSA-N
XLogP2.22
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(N-acetyl-4-cyanoanilino)ethyl]pentanamide 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

N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]pentanamide
CID 113061483
tert-butyl N-[2-(N-acetyl-4-cyanoanilino)ethyl]carbamate
CID 113064370
N-[2-(N-acetyl-4-cyanoanilino)ethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 113064357
N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]pentanamide
CID 113062939
N-[2-(N-acetyl-4-cyanoanilino)ethyl]-2-bromobenzamide
CID 113064324
N-[2-(N-acetyl-2-ethylanilino)ethyl]pentanamide
CID 113058287
3-(N-acetyl-4-cyanoanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113135055
methyl 4-[acetyl-[2-(butanoylamino)ethyl]amino]benzoate
CID 113062014
N-[2-(N-acetyl-4-cyanoanilino)ethyl]-2-methoxybenzamide
CID 113064327
N-[2-(N-acetyl-3-cyanoanilino)ethyl]-3-phenylpropanamide
CID 113064234
N-[2-[N-acetyl-2,6-di(propan-2-yl)anilino]ethyl]pentanamide
CID 113063100
N-[2-(N-acetyl-4-cyanoanilino)ethyl]-3,4,5-trimethoxybenzamide
CID 113064337

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-4-cyanoanilino)ethyl]pentanamide?
The IUPAC name of N-[2-(N-acetyl-4-cyanoanilino)ethyl]pentanamide (CID 113064309) is N-[2-(N-acetyl-4-cyanoanilino)ethyl]pentanamide.
What is the SMILES notation for N-[2-(N-acetyl-4-cyanoanilino)ethyl]pentanamide?
The canonical SMILES for N-[2-(N-acetyl-4-cyanoanilino)ethyl]pentanamide is CCCCC(=O)NCCN(C(C)=O)c1ccc(C#N)cc1.
What is the InChIKey of N-[2-(N-acetyl-4-cyanoanilino)ethyl]pentanamide?
The InChIKey is ADTRHIYAHPWIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-4-5-16(21)18-10-11-19(13(2)20)15-8-6-14(12-17)7-9-15/h6-9H,3-5,10-11H2,1-2H3,(H,18,21).
What are the key properties of N-[2-(N-acetyl-4-cyanoanilino)ethyl]pentanamide?
N-[2-(N-acetyl-4-cyanoanilino)ethyl]pentanamide has a molecular weight of 287.36 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-4-cyanoanilino)ethyl]pentanamide is sourced from PubChem (CID 113064309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).