(2S)-N-(2,4-dimethoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide

C22H24N2O5 — CID 7605329

IUPAC(2S)-N-(2,4-dimethoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
SMILESCOc1ccc(NC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)c(OC)c1
InChIInChI=1S/C22H24N2O5/c1-13(2)11-18(24-21(26)15-7-5-6-8-16(15)22(24)27)20(25)23-17-10-9-14(28-3)12-19(17)29-4/h5-10,12-13,18H,11H2,1-4H3,(H,23,25)/t18-/m0/s1
InChIKeyMMWZHPFCJXXSOA-SFHVURJKSA-N
MW396.44 g/mol
LogP3.35
Rot. Bonds7

About (2S)-N-(2,4-dimethoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide

(2S)-N-(2,4-dimethoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide (PubChem CID 7605329) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is (2S)-N-(2,4-dimethoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-N-(2,4-dimethoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
PubChem CID7605329
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name(2S)-N-(2,4-dimethoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
SMILESCOc1ccc(NC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)c(OC)c1
InChIInChI=1S/C22H24N2O5/c1-13(2)11-18(24-21(26)15-7-5-6-8-16(15)22(24)27)20(25)23-17-10-9-14(28-3)12-19(17)29-4/h5-10,12-13,18H,11H2,1-4H3,(H,23,25)/t18-/m0/s1
InChIKeyMMWZHPFCJXXSOA-SFHVURJKSA-N
XLogP3.35
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)-4-methylpentanamide
CID 8714159
2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pentanamide
CID 86776780
(2S)-N-(2-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 2420991
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethylphenyl)-4-methylpentanamide
CID 7067644
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]-4-methylpentanamide
CID 98396669
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-4-methylpentanamide
CID 22691067
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 55540035
(2R)-N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 8760285
2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-naphthalen-2-ylpentanamide
CID 4070544
(2S)-N-(2,4-dimethoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 20862776
N-(2-chlorophenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 2901149
2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)propanamide
CID 2787226

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,4-dimethoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide?
The IUPAC name of (2S)-N-(2,4-dimethoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide (CID 7605329) is (2S)-N-(2,4-dimethoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide.
What is the SMILES notation for (2S)-N-(2,4-dimethoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide?
The canonical SMILES for (2S)-N-(2,4-dimethoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide is COc1ccc(NC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)c(OC)c1.
What is the InChIKey of (2S)-N-(2,4-dimethoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide?
The InChIKey is MMWZHPFCJXXSOA-SFHVURJKSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-13(2)11-18(24-21(26)15-7-5-6-8-16(15)22(24)27)20(25)23-17-10-9-14(28-3)12-19(17)29-4/h5-10,12-13,18H,11H2,1-4H3,(H,23,25)/t18-/m0/s1.
What are the key properties of (2S)-N-(2,4-dimethoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide?
(2S)-N-(2,4-dimethoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide has a molecular weight of 396.44 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,4-dimethoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide is sourced from PubChem (CID 7605329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).