(1R)-N-(3-methylbutyl)-3-oxo-2-[(4-propan-2-yloxyphenyl)methyl]-1H-isoindole-1-carboxamide

C24H30N2O3 — CID 92730722

IUPAC(1R)-N-(3-methylbutyl)-3-oxo-2-[(4-propan-2-yloxyphenyl)methyl]-1H-isoindole-1-carboxamide
SMILESCC(C)CCNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccc(OC(C)C)cc1
InChIInChI=1S/C24H30N2O3/c1-16(2)13-14-25-23(27)22-20-7-5-6-8-21(20)24(28)26(22)15-18-9-11-19(12-10-18)29-17(3)4/h5-12,16-17,22H,13-15H2,1-4H3,(H,25,27)/t22-/m1/s1
InChIKeyVCWINMKPWPWLBH-JOCHJYFZSA-N
MW394.52 g/mol
LogP4.33
Rot. Bonds8

About (1R)-N-(3-methylbutyl)-3-oxo-2-[(4-propan-2-yloxyphenyl)methyl]-1H-isoindole-1-carboxamide

(1R)-N-(3-methylbutyl)-3-oxo-2-[(4-propan-2-yloxyphenyl)methyl]-1H-isoindole-1-carboxamide (PubChem CID 92730722) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is (1R)-N-(3-methylbutyl)-3-oxo-2-[(4-propan-2-yloxyphenyl)methyl]-1H-isoindole-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-(3-methylbutyl)-3-oxo-2-[(4-propan-2-yloxyphenyl)methyl]-1H-isoindole-1-carboxamide
PubChem CID92730722
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name(1R)-N-(3-methylbutyl)-3-oxo-2-[(4-propan-2-yloxyphenyl)methyl]-1H-isoindole-1-carboxamide
SMILESCC(C)CCNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccc(OC(C)C)cc1
InChIInChI=1S/C24H30N2O3/c1-16(2)13-14-25-23(27)22-20-7-5-6-8-21(20)24(28)26(22)15-18-9-11-19(12-10-18)29-17(3)4/h5-12,16-17,22H,13-15H2,1-4H3,(H,25,27)/t22-/m1/s1
InChIKeyVCWINMKPWPWLBH-JOCHJYFZSA-N
XLogP4.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-N-(3-methylbutyl)-3-oxo-2-[(4-propan-2-yloxyphenyl)methyl]-1H-isoindole-1-carboxamide with MolForge

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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
12-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)-11-oxo-6,13-dihydrobenzo[c][1,6]benzoxazonine-13-carboxamide
CID 71161946
(1R)-N-(3-methoxypropyl)-2-[(4-methylphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
CID 92714956
(1R)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-[(4-methoxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
CID 92656066
2-(4-ethoxyphenyl)-N-(3-methylbutyl)-3-oxo-1H-isoindole-1-carboxamide
CID 50808049
N-benzyl-2-(3-methylbutyl)-3-oxo-1H-isoindole-1-carboxamide
CID 68775114
N-cyclooctyl-2-[(4-ethoxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
CID 3585142
3-oxo-N,2-dipropyl-1H-isoindole-1-carboxamide
CID 68771820
2-benzyl-N-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide
CID 44552144
(3R,9bR)-N-(3-methylbutyl)-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 7734774
N-[(3-chlorophenyl)methyl]-2-[(4-hydroxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
CID 68772752

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(3-methylbutyl)-3-oxo-2-[(4-propan-2-yloxyphenyl)methyl]-1H-isoindole-1-carboxamide?
The IUPAC name of (1R)-N-(3-methylbutyl)-3-oxo-2-[(4-propan-2-yloxyphenyl)methyl]-1H-isoindole-1-carboxamide (CID 92730722) is (1R)-N-(3-methylbutyl)-3-oxo-2-[(4-propan-2-yloxyphenyl)methyl]-1H-isoindole-1-carboxamide.
What is the SMILES notation for (1R)-N-(3-methylbutyl)-3-oxo-2-[(4-propan-2-yloxyphenyl)methyl]-1H-isoindole-1-carboxamide?
The canonical SMILES for (1R)-N-(3-methylbutyl)-3-oxo-2-[(4-propan-2-yloxyphenyl)methyl]-1H-isoindole-1-carboxamide is CC(C)CCNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccc(OC(C)C)cc1.
What is the InChIKey of (1R)-N-(3-methylbutyl)-3-oxo-2-[(4-propan-2-yloxyphenyl)methyl]-1H-isoindole-1-carboxamide?
The InChIKey is VCWINMKPWPWLBH-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-16(2)13-14-25-23(27)22-20-7-5-6-8-21(20)24(28)26(22)15-18-9-11-19(12-10-18)29-17(3)4/h5-12,16-17,22H,13-15H2,1-4H3,(H,25,27)/t22-/m1/s1.
What are the key properties of (1R)-N-(3-methylbutyl)-3-oxo-2-[(4-propan-2-yloxyphenyl)methyl]-1H-isoindole-1-carboxamide?
(1R)-N-(3-methylbutyl)-3-oxo-2-[(4-propan-2-yloxyphenyl)methyl]-1H-isoindole-1-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(3-methylbutyl)-3-oxo-2-[(4-propan-2-yloxyphenyl)methyl]-1H-isoindole-1-carboxamide is sourced from PubChem (CID 92730722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).