N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-phenylbutanamide

C21H30N2O3 — CID 75280046

IUPACN-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-phenylbutanamide
SMILESCCC(C(=O)NC1CCC2C(COC)CC(=O)NC2C1)c1ccccc1
InChIInChI=1S/C21H30N2O3/c1-3-17(14-7-5-4-6-8-14)21(25)22-16-9-10-18-15(13-26-2)11-20(24)23-19(18)12-16/h4-8,15-19H,3,9-13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyVIHKSVBRQONSLU-UHFFFAOYSA-N
MW358.48 g/mol
LogP2.62
Rot. Bonds6

About N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-phenylbutanamide

N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-phenylbutanamide (PubChem CID 75280046) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-phenylbutanamide
PubChem CID75280046
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC NameN-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-phenylbutanamide
SMILESCCC(C(=O)NC1CCC2C(COC)CC(=O)NC2C1)c1ccccc1
InChIInChI=1S/C21H30N2O3/c1-3-17(14-7-5-4-6-8-14)21(25)22-16-9-10-18-15(13-26-2)11-20(24)23-19(18)12-16/h4-8,15-19H,3,9-13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyVIHKSVBRQONSLU-UHFFFAOYSA-N
XLogP2.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-phenylbutanamide 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-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-phenylbutanamide?
The IUPAC name of N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-phenylbutanamide (CID 75280046) is N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-phenylbutanamide.
What is the SMILES notation for N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-phenylbutanamide?
The canonical SMILES for N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-phenylbutanamide is CCC(C(=O)NC1CCC2C(COC)CC(=O)NC2C1)c1ccccc1.
What is the InChIKey of N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-phenylbutanamide?
The InChIKey is VIHKSVBRQONSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-3-17(14-7-5-4-6-8-14)21(25)22-16-9-10-18-15(13-26-2)11-20(24)23-19(18)12-16/h4-8,15-19H,3,9-13H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-phenylbutanamide?
N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-phenylbutanamide has a molecular weight of 358.48 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-phenylbutanamide is sourced from PubChem (CID 75280046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).