(1R)-N-(3-methoxypropyl)-2-[(4-methylphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide

C21H24N2O3 — CID 92714956

IUPAC(1R)-N-(3-methoxypropyl)-2-[(4-methylphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
SMILESCOCCCNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccc(C)cc1
InChIInChI=1S/C21H24N2O3/c1-15-8-10-16(11-9-15)14-23-19(20(24)22-12-5-13-26-2)17-6-3-4-7-18(17)21(23)25/h3-4,6-11,19H,5,12-14H2,1-2H3,(H,22,24)/t19-/m1/s1
InChIKeyUSWVANFGVOUNHR-LJQANCHMSA-N
MW352.43 g/mol
LogP2.84
Rot. Bonds7

About (1R)-N-(3-methoxypropyl)-2-[(4-methylphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide

(1R)-N-(3-methoxypropyl)-2-[(4-methylphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide (PubChem CID 92714956) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is (1R)-N-(3-methoxypropyl)-2-[(4-methylphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-(3-methoxypropyl)-2-[(4-methylphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
PubChem CID92714956
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name(1R)-N-(3-methoxypropyl)-2-[(4-methylphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
SMILESCOCCCNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccc(C)cc1
InChIInChI=1S/C21H24N2O3/c1-15-8-10-16(11-9-15)14-23-19(20(24)22-12-5-13-26-2)17-6-3-4-7-18(17)21(23)25/h3-4,6-11,19H,5,12-14H2,1-2H3,(H,22,24)/t19-/m1/s1
InChIKeyUSWVANFGVOUNHR-LJQANCHMSA-N
XLogP2.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (1R)-N-(3-methoxypropyl)-2-[(4-methylphenyl)methyl]-3-oxo-1H-isoindole-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

(1S)-2-[(4-methoxyphenyl)methyl]-N-(3-methoxypropyl)-3-oxo-1H-isoindole-1-carboxamide
CID 92714955
(1R)-2-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-3-oxo-1H-isoindole-1-carboxamide
CID 92730762
2-(furan-2-ylmethyl)-N-(3-methoxypropyl)-3-oxo-1H-isoindole-1-carboxamide
CID 22585725
(1S)-N-(3-methoxypropyl)-3-oxo-2-(3-phenylpropyl)-1H-isoindole-1-carboxamide
CID 92714959
2-benzyl-N-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide
CID 44552144
(1R)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-[(4-methoxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
CID 92656066
(1R)-N-(3-methylbutyl)-3-oxo-2-[(4-propan-2-yloxyphenyl)methyl]-1H-isoindole-1-carboxamide
CID 92730722
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-[2-(4-methylphenyl)ethyl]-3-oxo-1H-isoindole-1-carboxamide
CID 3623873
(3R,4R)-2-(2-methoxyethyl)-N-(3-methoxypropyl)-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxamide
CID 93020485
3-oxo-N,2-dipropyl-1H-isoindole-1-carboxamide
CID 68771820
2-[(4-chlorophenyl)methyl]-3-(5-chloro-2-pyridinyl)-N-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 24803828
N-[(4-cyanophenyl)methyl]-3-oxo-2-[(4-phenylphenyl)methyl]-1H-isoindole-1-carboxamide
CID 68774221

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(3-methoxypropyl)-2-[(4-methylphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide?
The IUPAC name of (1R)-N-(3-methoxypropyl)-2-[(4-methylphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide (CID 92714956) is (1R)-N-(3-methoxypropyl)-2-[(4-methylphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide.
What is the SMILES notation for (1R)-N-(3-methoxypropyl)-2-[(4-methylphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide?
The canonical SMILES for (1R)-N-(3-methoxypropyl)-2-[(4-methylphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide is COCCCNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccc(C)cc1.
What is the InChIKey of (1R)-N-(3-methoxypropyl)-2-[(4-methylphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide?
The InChIKey is USWVANFGVOUNHR-LJQANCHMSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15-8-10-16(11-9-15)14-23-19(20(24)22-12-5-13-26-2)17-6-3-4-7-18(17)21(23)25/h3-4,6-11,19H,5,12-14H2,1-2H3,(H,22,24)/t19-/m1/s1.
What are the key properties of (1R)-N-(3-methoxypropyl)-2-[(4-methylphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide?
(1R)-N-(3-methoxypropyl)-2-[(4-methylphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(3-methoxypropyl)-2-[(4-methylphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide is sourced from PubChem (CID 92714956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).