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

C26H30N2O3 — CID 45169609

IUPACN-benzyl-N-(cyclopropylmethyl)-2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
SMILESCCN1C(=O)CC(CC(=O)N(Cc2ccccc2)CC2CC2)(c2ccccc2C)C1=O
InChIInChI=1S/C26H30N2O3/c1-3-28-24(30)16-26(25(28)31,22-12-8-7-9-19(22)2)15-23(29)27(18-21-13-14-21)17-20-10-5-4-6-11-20/h4-12,21H,3,13-18H2,1-2H3
InChIKeyBLHUKYANQZXAKT-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.84
Rot. Bonds8

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

N-benzyl-N-(cyclopropylmethyl)-2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide (PubChem CID 45169609) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-benzyl-N-(cyclopropylmethyl)-2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-(cyclopropylmethyl)-2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
PubChem CID45169609
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC NameN-benzyl-N-(cyclopropylmethyl)-2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
SMILESCCN1C(=O)CC(CC(=O)N(Cc2ccccc2)CC2CC2)(c2ccccc2C)C1=O
InChIInChI=1S/C26H30N2O3/c1-3-28-24(30)16-26(25(28)31,22-12-8-7-9-19(22)2)15-23(29)27(18-21-13-14-21)17-20-10-5-4-6-11-20/h4-12,21H,3,13-18H2,1-2H3
InChIKeyBLHUKYANQZXAKT-UHFFFAOYSA-N
XLogP3.84
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.84
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-2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide
CID 126462106
2-[(3R)-1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid
CID 125168921
N-benzyl-2-[(3S)-1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(cyclopropylmethyl)acetamide
CID 26278688
N-benzyl-N-methyl-2-[3-(2-methylphenyl)-2,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]acetamide
CID 45168626
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
(3R)-1-ethyl-3-[2-[4-[(1R)-1-hydroxypropyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methylphenyl)pyrrolidine-2,5-dione
CID 42248146
(3S)-1-ethyl-3-[2-[4-[(1R)-1-hydroxypropyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methylphenyl)pyrrolidine-2,5-dione
CID 42248144
(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
N-methyl-2-[3-(2-methylphenyl)-2,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-N-(2-phenylethyl)acetamide
CID 45201004
ethyl 1-[2-[(3R)-1-benzyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]piperidine-4-carboxylate
CID 42324913
2-[1-benzyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 45177342
N-(furan-2-ylmethyl)-2-[3-(2-methylphenyl)-2,5-dioxo-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-N-prop-2-ynylacetamide
CID 118756346

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(cyclopropylmethyl)-2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide?
The IUPAC name of N-benzyl-N-(cyclopropylmethyl)-2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide (CID 45169609) is N-benzyl-N-(cyclopropylmethyl)-2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-benzyl-N-(cyclopropylmethyl)-2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide?
The canonical SMILES for N-benzyl-N-(cyclopropylmethyl)-2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide is CCN1C(=O)CC(CC(=O)N(Cc2ccccc2)CC2CC2)(c2ccccc2C)C1=O.
What is the InChIKey of N-benzyl-N-(cyclopropylmethyl)-2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide?
The InChIKey is BLHUKYANQZXAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3/c1-3-28-24(30)16-26(25(28)31,22-12-8-7-9-19(22)2)15-23(29)27(18-21-13-14-21)17-20-10-5-4-6-11-20/h4-12,21H,3,13-18H2,1-2H3.
What are the key properties of N-benzyl-N-(cyclopropylmethyl)-2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide?
N-benzyl-N-(cyclopropylmethyl)-2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide has a molecular weight of 418.54 g/mol, XLogP of 3.84, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(cyclopropylmethyl)-2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 45169609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).