N-(2-amino-2-ethylbutyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

C18H27N3O2 — CID 119641050

IUPACN-(2-amino-2-ethylbutyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESCCC(N)(CC)CNC(=O)CCC1Cc2ccccc2NC1=O
InChIInChI=1S/C18H27N3O2/c1-3-18(19,4-2)12-20-16(22)10-9-14-11-13-7-5-6-8-15(13)21-17(14)23/h5-8,14H,3-4,9-12,19H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyVADRKRUXSGDMSR-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.21
Rot. Bonds7

About N-(2-amino-2-ethylbutyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

N-(2-amino-2-ethylbutyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (PubChem CID 119641050) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
PubChem CID119641050
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-(2-amino-2-ethylbutyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESCCC(N)(CC)CNC(=O)CCC1Cc2ccccc2NC1=O
InChIInChI=1S/C18H27N3O2/c1-3-18(19,4-2)12-20-16(22)10-9-14-11-13-7-5-6-8-15(13)21-17(14)23/h5-8,14H,3-4,9-12,19H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyVADRKRUXSGDMSR-UHFFFAOYSA-N
XLogP2.21
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(2-amino-2-ethylbutyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (CID 119641050) is N-(2-amino-2-ethylbutyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is CCC(N)(CC)CNC(=O)CCC1Cc2ccccc2NC1=O.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The InChIKey is VADRKRUXSGDMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-3-18(19,4-2)12-20-16(22)10-9-14-11-13-7-5-6-8-15(13)21-17(14)23/h5-8,14H,3-4,9-12,19H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-(2-amino-2-ethylbutyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
N-(2-amino-2-ethylbutyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide has a molecular weight of 317.43 g/mol, XLogP of 2.21, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 119641050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).