N-benzyl-2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide

C23H26N2O3 — CID 126462106

IUPACN-benzyl-2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide
SMILESCCN1C(=O)CC(CC(=O)N(C)Cc2ccccc2)(c2ccccc2C)C1=O
InChIInChI=1S/C23H26N2O3/c1-4-25-21(27)15-23(22(25)28,19-13-9-8-10-17(19)2)14-20(26)24(3)16-18-11-6-5-7-12-18/h5-13H,4,14-16H2,1-3H3
InChIKeyRYNUJWHNIFEVNY-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.06
Rot. Bonds6

About N-benzyl-2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide

N-benzyl-2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide (PubChem CID 126462106) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-benzyl-2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide
PubChem CID126462106
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-benzyl-2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide
SMILESCCN1C(=O)CC(CC(=O)N(C)Cc2ccccc2)(c2ccccc2C)C1=O
InChIInChI=1S/C23H26N2O3/c1-4-25-21(27)15-23(22(25)28,19-13-9-8-10-17(19)2)14-20(26)24(3)16-18-11-6-5-7-12-18/h5-13H,4,14-16H2,1-3H3
InChIKeyRYNUJWHNIFEVNY-UHFFFAOYSA-N
XLogP3.06
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-methyl-2-[3-(2-methylphenyl)-2,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]acetamide
CID 45168626
N-benzyl-N-(cyclopropylmethyl)-2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 45169609
2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
CID 45175049
2-[(3R)-1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid
CID 125168921
2-[1-benzyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 45177342
N-benzyl-2-[(3R)-1-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide
CID 42162480
N-methyl-2-[3-(2-methylphenyl)-2,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-N-(2-phenylethyl)acetamide
CID 45201004
2-[1-benzyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylacetamide
CID 45174306
2-[1-benzyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 45197063
2-[(3R)-3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 26350172
N-methyl-2-[(3R)-3-(2-methylphenyl)-2,5-dioxo-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide
CID 42276320
(3R)-3-[2-[(1S,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-2-oxoethyl]-1-ethyl-3-(2-methylphenyl)pyrrolidine-2,5-dione
CID 98245443

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide (CID 126462106) is N-benzyl-2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide is CCN1C(=O)CC(CC(=O)N(C)Cc2ccccc2)(c2ccccc2C)C1=O.
What is the InChIKey of N-benzyl-2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide?
The InChIKey is RYNUJWHNIFEVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-4-25-21(27)15-23(22(25)28,19-13-9-8-10-17(19)2)14-20(26)24(3)16-18-11-6-5-7-12-18/h5-13H,4,14-16H2,1-3H3.
What are the key properties of N-benzyl-2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide?
N-benzyl-2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide has a molecular weight of 378.47 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 126462106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).