2-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide

C24H20N2O3 — CID 1312829

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
SMILESCc1ccc([C@@H](NC(=O)CN2C(=O)c3ccccc3C2=O)c2ccccc2)cc1
InChIInChI=1S/C24H20N2O3/c1-16-11-13-18(14-12-16)22(17-7-3-2-4-8-17)25-21(27)15-26-23(28)19-9-5-6-10-20(19)24(26)29/h2-14,22H,15H2,1H3,(H,25,27)/t22-/m0/s1
InChIKeyYIIZIQAFCOBFJY-QFIPXVFZSA-N
MW384.44 g/mol
LogP3.50
Rot. Bonds5

About 2-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide

2-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide (PubChem CID 1312829) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
PubChem CID1312829
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
SMILESCc1ccc([C@@H](NC(=O)CN2C(=O)c3ccccc3C2=O)c2ccccc2)cc1
InChIInChI=1S/C24H20N2O3/c1-16-11-13-18(14-12-16)22(17-7-3-2-4-8-17)25-21(27)15-26-23(28)19-9-5-6-10-20(19)24(26)29/h2-14,22H,15H2,1H3,(H,25,27)/t22-/m0/s1
InChIKeyYIIZIQAFCOBFJY-QFIPXVFZSA-N
XLogP3.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide 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

3-(1,3-dioxoisoindol-2-yl)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 8797989
3-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide
CID 8797996
N-[cyano-(4-methylphenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110664203
3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-3-phenylpropanoic acid
CID 53215949
N-benzhydryl-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 1342103
N-(3,3-dimethyl-1-phenylbutyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 55690067
2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylpentyl)acetamide
CID 3678187
3-(1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)-phenylmethyl]propanamide
CID 55583655
3-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]propanamide
CID 8854781
(2R)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(2-methylphenyl)-2-phenylacetamide
CID 41165191
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylpropyl)acetamide
CID 4828663
3-(4-methylphenyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28578275

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide (CID 1312829) is 2-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide is Cc1ccc([C@@H](NC(=O)CN2C(=O)c3ccccc3C2=O)c2ccccc2)cc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide?
The InChIKey is YIIZIQAFCOBFJY-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-16-11-13-18(14-12-16)22(17-7-3-2-4-8-17)25-21(27)15-26-23(28)19-9-5-6-10-20(19)24(26)29/h2-14,22H,15H2,1H3,(H,25,27)/t22-/m0/s1.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide has a molecular weight of 384.44 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 1312829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).