2-(2-methoxyethyl)-3-oxo-N-(1-phenylethyl)-1,4-dihydroisoquinoline-1-carboxamide

C21H24N2O3 — CID 53147729

IUPAC2-(2-methoxyethyl)-3-oxo-N-(1-phenylethyl)-1,4-dihydroisoquinoline-1-carboxamide
SMILESCOCCN1C(=O)Cc2ccccc2C1C(=O)NC(C)c1ccccc1
InChIInChI=1S/C21H24N2O3/c1-15(16-8-4-3-5-9-16)22-21(25)20-18-11-7-6-10-17(18)14-19(24)23(20)12-13-26-2/h3-11,15,20H,12-14H2,1-2H3,(H,22,25)
InChIKeyIMPDPBIDHIRSEL-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.64
Rot. Bonds6

About 2-(2-methoxyethyl)-3-oxo-N-(1-phenylethyl)-1,4-dihydroisoquinoline-1-carboxamide

2-(2-methoxyethyl)-3-oxo-N-(1-phenylethyl)-1,4-dihydroisoquinoline-1-carboxamide (PubChem CID 53147729) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-3-oxo-N-(1-phenylethyl)-1,4-dihydroisoquinoline-1-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyethyl)-3-oxo-N-(1-phenylethyl)-1,4-dihydroisoquinoline-1-carboxamide
PubChem CID53147729
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name2-(2-methoxyethyl)-3-oxo-N-(1-phenylethyl)-1,4-dihydroisoquinoline-1-carboxamide
SMILESCOCCN1C(=O)Cc2ccccc2C1C(=O)NC(C)c1ccccc1
InChIInChI=1S/C21H24N2O3/c1-15(16-8-4-3-5-9-16)22-21(25)20-18-11-7-6-10-17(18)14-19(24)23(20)12-13-26-2/h3-11,15,20H,12-14H2,1-2H3,(H,22,25)
InChIKeyIMPDPBIDHIRSEL-UHFFFAOYSA-N
XLogP2.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-methoxyethyl)-3-oxo-N-(1-phenylethyl)-1,4-dihydroisoquinoline-1-carboxamide 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-bis(2-methoxyethyl)-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 53147731
N-[(2-bromophenyl)methyl]-2-(2-methoxyethyl)-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 53147773
2-(2-methoxyethyl)-1-(pyrrolidine-1-carbonyl)-1,4-dihydroisoquinolin-3-one
CID 53147763
(1S)-N-[(3-chlorophenyl)methyl]-2-(2-methoxyethyl)-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 95096579
(4S)-2-(2-methoxyethyl)-1-oxo-N-[(1S)-1-phenylethyl]spiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide
CID 95859286
(1S)-3-oxo-N-[(4-propan-2-yloxyphenyl)methyl]-2-propyl-1,4-dihydroisoquinoline-1-carboxamide
CID 95096290
(2R,3R)-2-(2-fluorophenyl)-1-(2-methoxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide
CID 110086982
1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(1-phenylethyl)piperidine-3-carboxamide
CID 55406258
3-oxo-2-(2-pyrrolidin-1-ylethyl)-1,4-dihydroisoquinoline-1-carboxylic acid
CID 134336892
(2R)-1-benzyl-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 7101898
4-methyl-5-oxo-3-phenyl-N-(1-phenylethyl)morpholine-2-carboxamide
CID 71687662
2-(4-methoxybutan-2-yl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 65066841

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-3-oxo-N-(1-phenylethyl)-1,4-dihydroisoquinoline-1-carboxamide?
The IUPAC name of 2-(2-methoxyethyl)-3-oxo-N-(1-phenylethyl)-1,4-dihydroisoquinoline-1-carboxamide (CID 53147729) is 2-(2-methoxyethyl)-3-oxo-N-(1-phenylethyl)-1,4-dihydroisoquinoline-1-carboxamide.
What is the SMILES notation for 2-(2-methoxyethyl)-3-oxo-N-(1-phenylethyl)-1,4-dihydroisoquinoline-1-carboxamide?
The canonical SMILES for 2-(2-methoxyethyl)-3-oxo-N-(1-phenylethyl)-1,4-dihydroisoquinoline-1-carboxamide is COCCN1C(=O)Cc2ccccc2C1C(=O)NC(C)c1ccccc1.
What is the InChIKey of 2-(2-methoxyethyl)-3-oxo-N-(1-phenylethyl)-1,4-dihydroisoquinoline-1-carboxamide?
The InChIKey is IMPDPBIDHIRSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15(16-8-4-3-5-9-16)22-21(25)20-18-11-7-6-10-17(18)14-19(24)23(20)12-13-26-2/h3-11,15,20H,12-14H2,1-2H3,(H,22,25).
What are the key properties of 2-(2-methoxyethyl)-3-oxo-N-(1-phenylethyl)-1,4-dihydroisoquinoline-1-carboxamide?
2-(2-methoxyethyl)-3-oxo-N-(1-phenylethyl)-1,4-dihydroisoquinoline-1-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-3-oxo-N-(1-phenylethyl)-1,4-dihydroisoquinoline-1-carboxamide is sourced from PubChem (CID 53147729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).