3-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]-1-oxo-4H-isochromene-3-carboxamide

C22H24N2O4 — CID 134044672

IUPAC3-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]-1-oxo-4H-isochromene-3-carboxamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)C1(C)Cc2ccccc2C(=O)O1
InChIInChI=1S/C22H24N2O4/c1-14(2)13-23-19(25)17-10-6-7-11-18(17)24-21(27)22(3)12-15-8-4-5-9-16(15)20(26)28-22/h4-11,14H,12-13H2,1-3H3,(H,23,25)(H,24,27)
InChIKeyOYUMOQORZYVJSH-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.18
Rot. Bonds5

About 3-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]-1-oxo-4H-isochromene-3-carboxamide

3-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]-1-oxo-4H-isochromene-3-carboxamide (PubChem CID 134044672) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 3-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]-1-oxo-4H-isochromene-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]-1-oxo-4H-isochromene-3-carboxamide
PubChem CID134044672
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name3-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]-1-oxo-4H-isochromene-3-carboxamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)C1(C)Cc2ccccc2C(=O)O1
InChIInChI=1S/C22H24N2O4/c1-14(2)13-23-19(25)17-10-6-7-11-18(17)24-21(27)22(3)12-15-8-4-5-9-16(15)20(26)28-22/h4-11,14H,12-13H2,1-3H3,(H,23,25)(H,24,27)
InChIKeyOYUMOQORZYVJSH-UHFFFAOYSA-N
XLogP3.18
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(2-methylphenyl)-1-oxo-4H-isochromene-3-carboxamide
CID 3158988
(3S)-N-(2-methoxyphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 7263264
3-methyl-N-[4-(3-methylbutanoylamino)phenyl]-1-oxo-4H-isochromene-3-carboxamide
CID 134039899
3-methyl-N-(2-nitrophenyl)-1-oxo-4H-isochromene-3-carboxamide
CID 4905308
methyl 2-[[(3S)-3,7-dimethyl-1-oxo-4H-isochromene-3-carbonyl]amino]benzoate
CID 41493726
(3R)-3-methyl-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]-1-oxo-4H-isochromene-3-carboxamide
CID 99790592
3-methyl-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]-1-oxo-4H-isochromene-3-carboxamide
CID 102555612
(3R)-N-(4-bromophenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 1096273
2-[(2,2-diphenylacetyl)amino]-N-(2-methylpropyl)benzamide
CID 1369721
N-(4-acetylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 4903202
(3S)-N-(4-tert-butylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 8569512
N-[4-(diethylcarbamoyl)phenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 78710241

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]-1-oxo-4H-isochromene-3-carboxamide?
The IUPAC name of 3-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]-1-oxo-4H-isochromene-3-carboxamide (CID 134044672) is 3-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]-1-oxo-4H-isochromene-3-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]-1-oxo-4H-isochromene-3-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]-1-oxo-4H-isochromene-3-carboxamide is CC(C)CNC(=O)c1ccccc1NC(=O)C1(C)Cc2ccccc2C(=O)O1.
What is the InChIKey of 3-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]-1-oxo-4H-isochromene-3-carboxamide?
The InChIKey is OYUMOQORZYVJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-14(2)13-23-19(25)17-10-6-7-11-18(17)24-21(27)22(3)12-15-8-4-5-9-16(15)20(26)28-22/h4-11,14H,12-13H2,1-3H3,(H,23,25)(H,24,27).
What are the key properties of 3-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]-1-oxo-4H-isochromene-3-carboxamide?
3-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]-1-oxo-4H-isochromene-3-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]-1-oxo-4H-isochromene-3-carboxamide is sourced from PubChem (CID 134044672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).