2-[benzyl-[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(diethoxyphosphorylmethyl)-2-phenylacetamide

C30H32N3O7P — CID 23260314

IUPAC2-[benzyl-[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(diethoxyphosphorylmethyl)-2-phenylacetamide
SMILESCCOP(=O)(CNC(=O)C(c1ccccc1)N(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2C1=O)OCC
InChIInChI=1S/C30H32N3O7P/c1-3-39-41(38,40-4-2)21-31-28(35)27(23-15-9-6-10-16-23)32(19-22-13-7-5-8-14-22)26(34)20-33-29(36)24-17-11-12-18-25(24)30(33)37/h5-18,27H,3-4,19-21H2,1-2H3,(H,31,35)
InChIKeyGDSACLUVBFZFEJ-UHFFFAOYSA-N
MW577.57 g/mol
LogP4.39
Rot. Bonds13

About 2-[benzyl-[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(diethoxyphosphorylmethyl)-2-phenylacetamide

2-[benzyl-[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(diethoxyphosphorylmethyl)-2-phenylacetamide (PubChem CID 23260314) has the molecular formula C30H32N3O7P and a molecular weight of 577.57 g/mol. Its IUPAC name is 2-[benzyl-[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(diethoxyphosphorylmethyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[benzyl-[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(diethoxyphosphorylmethyl)-2-phenylacetamide
PubChem CID23260314
Molecular FormulaC30H32N3O7P
Molecular Weight577.57 g/mol
Exact Mass577.20
IUPAC Name2-[benzyl-[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(diethoxyphosphorylmethyl)-2-phenylacetamide
SMILESCCOP(=O)(CNC(=O)C(c1ccccc1)N(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2C1=O)OCC
InChIInChI=1S/C30H32N3O7P/c1-3-39-41(38,40-4-2)21-31-28(35)27(23-15-9-6-10-16-23)32(19-22-13-7-5-8-14-22)26(34)20-33-29(36)24-17-11-12-18-25(24)30(33)37/h5-18,27H,3-4,19-21H2,1-2H3,(H,31,35)
InChIKeyGDSACLUVBFZFEJ-UHFFFAOYSA-N
XLogP4.39
TPSA122.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.57
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-butan-2-yl-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 43025130
2-[benzyl-[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]-N-(2-methylpropyl)butanamide
CID 132718936
2-[benzyl-[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]-N-ethylbutanamide
CID 132668749
(2S)-2-[benzyl-[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]-N-propylbutanamide
CID 100539992
N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 16611716
N-benzyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]propanamide
CID 133214951
N-benzhydryl-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 8918958
(2R)-2-[benzyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)acetamide
CID 2721651
benzyl-[(2R)-1-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid
CID 175156671
(2R)-2-[benzyl-[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]-N-[(2R)-butan-2-yl]butanamide
CID 100646679
N-butyl-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide
CID 133238775
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide
CID 133238791

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(diethoxyphosphorylmethyl)-2-phenylacetamide?
The IUPAC name of 2-[benzyl-[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(diethoxyphosphorylmethyl)-2-phenylacetamide (CID 23260314) is 2-[benzyl-[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(diethoxyphosphorylmethyl)-2-phenylacetamide.
What is the SMILES notation for 2-[benzyl-[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(diethoxyphosphorylmethyl)-2-phenylacetamide?
The canonical SMILES for 2-[benzyl-[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(diethoxyphosphorylmethyl)-2-phenylacetamide is CCOP(=O)(CNC(=O)C(c1ccccc1)N(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2C1=O)OCC.
What is the InChIKey of 2-[benzyl-[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(diethoxyphosphorylmethyl)-2-phenylacetamide?
The InChIKey is GDSACLUVBFZFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N3O7P/c1-3-39-41(38,40-4-2)21-31-28(35)27(23-15-9-6-10-16-23)32(19-22-13-7-5-8-14-22)26(34)20-33-29(36)24-17-11-12-18-25(24)30(33)37/h5-18,27H,3-4,19-21H2,1-2H3,(H,31,35).
What are the key properties of 2-[benzyl-[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(diethoxyphosphorylmethyl)-2-phenylacetamide?
2-[benzyl-[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(diethoxyphosphorylmethyl)-2-phenylacetamide has a molecular weight of 577.57 g/mol, XLogP of 4.39, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(diethoxyphosphorylmethyl)-2-phenylacetamide is sourced from PubChem (CID 23260314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).