4-amino-2-methyl-N-(2-quinolin-8-ylethyl)butanamide

C16H21N3O — CID 81427876

IUPAC4-amino-2-methyl-N-(2-quinolin-8-ylethyl)butanamide
SMILESCC(CCN)C(=O)NCCc1cccc2cccnc12
InChIInChI=1S/C16H21N3O/c1-12(7-9-17)16(20)19-11-8-14-5-2-4-13-6-3-10-18-15(13)14/h2-6,10,12H,7-9,11,17H2,1H3,(H,19,20)
InChIKeyLPQQTVORCHTTMA-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.88
Rot. Bonds6

About 4-amino-2-methyl-N-(2-quinolin-8-ylethyl)butanamide

4-amino-2-methyl-N-(2-quinolin-8-ylethyl)butanamide (PubChem CID 81427876) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-amino-2-methyl-N-(2-quinolin-8-ylethyl)butanamide.

Molecular Properties

Compound Name4-amino-2-methyl-N-(2-quinolin-8-ylethyl)butanamide
PubChem CID81427876
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-amino-2-methyl-N-(2-quinolin-8-ylethyl)butanamide
SMILESCC(CCN)C(=O)NCCc1cccc2cccnc12
InChIInChI=1S/C16H21N3O/c1-12(7-9-17)16(20)19-11-8-14-5-2-4-13-6-3-10-18-15(13)14/h2-6,10,12H,7-9,11,17H2,1H3,(H,19,20)
InChIKeyLPQQTVORCHTTMA-UHFFFAOYSA-N
XLogP1.88
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-2-methyl-N-(2-quinolin-8-ylethyl)butanamide 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

(2R)-2-amino-N-(2-quinolin-8-ylethyl)propanamide
CID 78983595
(2S)-2-amino-3-methyl-N-(2-quinolin-8-ylethyl)butanamide
CID 81427163
methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084
(E)-N-(2-quinolin-8-ylethyl)but-2-enamide
CID 112723855
2-[2-oxo-2-(2-quinolin-8-ylethylamino)ethoxy]-N-(2-quinolin-8-ylethyl)acetamide
CID 78847250
2-methyl-1-(2-quinolin-8-ylethyl)guanidine
CID 78989907
4-amino-N-[2-(2-bromophenyl)ethyl]-2-methylbutanamide
CID 115156135
3-chloro-N-(2-quinolin-8-ylethyl)propanamide
CID 81427870
3-chloro-2,2-dimethyl-N-(2-quinolin-8-ylethyl)propanamide
CID 81426799
1-(2-quinolin-8-ylethylamino)propan-2-ol
CID 81428765
2-amino-N-(quinolin-8-ylmethyl)propanamide
CID 81427001
1-amino-2-methyl-3-(2-quinolin-8-ylethyl)guanidine
CID 116510983

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N-(2-quinolin-8-ylethyl)butanamide?
The IUPAC name of 4-amino-2-methyl-N-(2-quinolin-8-ylethyl)butanamide (CID 81427876) is 4-amino-2-methyl-N-(2-quinolin-8-ylethyl)butanamide.
What is the SMILES notation for 4-amino-2-methyl-N-(2-quinolin-8-ylethyl)butanamide?
The canonical SMILES for 4-amino-2-methyl-N-(2-quinolin-8-ylethyl)butanamide is CC(CCN)C(=O)NCCc1cccc2cccnc12.
What is the InChIKey of 4-amino-2-methyl-N-(2-quinolin-8-ylethyl)butanamide?
The InChIKey is LPQQTVORCHTTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12(7-9-17)16(20)19-11-8-14-5-2-4-13-6-3-10-18-15(13)14/h2-6,10,12H,7-9,11,17H2,1H3,(H,19,20).
What are the key properties of 4-amino-2-methyl-N-(2-quinolin-8-ylethyl)butanamide?
4-amino-2-methyl-N-(2-quinolin-8-ylethyl)butanamide has a molecular weight of 271.36 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-N-(2-quinolin-8-ylethyl)butanamide is sourced from PubChem (CID 81427876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).