N-methyl-2-[1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-(oxan-2-ylmethyl)acetamide

C26H30N2O4 — CID 45221118

IUPACN-methyl-2-[1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-(oxan-2-ylmethyl)acetamide
SMILESCN(CC1CCCCO1)C(=O)CC1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C)C1=O
InChIInChI=1S/C26H30N2O4/c1-27(18-22-10-6-7-15-32-22)23(29)16-26(17-24(30)28(2)25(26)31)21-13-11-20(12-14-21)19-8-4-3-5-9-19/h3-5,8-9,11-14,22H,6-7,10,15-18H2,1-2H3
InChIKeyFCYNQWWGPKBHJV-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.40
Rot. Bonds6

About N-methyl-2-[1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-(oxan-2-ylmethyl)acetamide

N-methyl-2-[1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-(oxan-2-ylmethyl)acetamide (PubChem CID 45221118) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-methyl-2-[1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-(oxan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-(oxan-2-ylmethyl)acetamide
PubChem CID45221118
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC NameN-methyl-2-[1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-(oxan-2-ylmethyl)acetamide
SMILESCN(CC1CCCCO1)C(=O)CC1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C)C1=O
InChIInChI=1S/C26H30N2O4/c1-27(18-22-10-6-7-15-32-22)23(29)16-26(17-24(30)28(2)25(26)31)21-13-11-20(12-14-21)19-8-4-3-5-9-19/h3-5,8-9,11-14,22H,6-7,10,15-18H2,1-2H3
InChIKeyFCYNQWWGPKBHJV-UHFFFAOYSA-N
XLogP3.40
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-2-[(3R)-1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 26349089
2-[(3S)-2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-methyl-N-[[(2S)-oxan-2-yl]methyl]acetamide
CID 42538014
N-methyl-2-[(3S)-1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-[(3S)-oxolan-3-yl]acetamide
CID 42436101
2-[(3R)-2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 42485318
2-[(3R)-3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[[(2S)-oxan-2-yl]methyl]acetamide
CID 42189960
2-[(3S)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-methyl-N-(3-piperidin-1-ylpropyl)acetamide
CID 125163774
(3R)-3-[2-(4-cyclopentyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1-methyl-3-(4-phenylphenyl)pyrrolidine-2,5-dione
CID 42365792
2-[(3R)-1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 42406114
2-[(3R)-1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methylacetamide
CID 26332977
2-[(3S)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N,N-diethylacetamide
CID 42346664
N,N-diethyl-1-[2-[1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide
CID 45202246
ethyl 4-[2-[1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]acetyl]piperazine-1-carboxylate
CID 45239394

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-(oxan-2-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-[1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-(oxan-2-ylmethyl)acetamide (CID 45221118) is N-methyl-2-[1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-(oxan-2-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-[1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-(oxan-2-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-[1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-(oxan-2-ylmethyl)acetamide is CN(CC1CCCCO1)C(=O)CC1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C)C1=O.
What is the InChIKey of N-methyl-2-[1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-(oxan-2-ylmethyl)acetamide?
The InChIKey is FCYNQWWGPKBHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-27(18-22-10-6-7-15-32-22)23(29)16-26(17-24(30)28(2)25(26)31)21-13-11-20(12-14-21)19-8-4-3-5-9-19/h3-5,8-9,11-14,22H,6-7,10,15-18H2,1-2H3.
What are the key properties of N-methyl-2-[1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-(oxan-2-ylmethyl)acetamide?
N-methyl-2-[1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-(oxan-2-ylmethyl)acetamide has a molecular weight of 434.54 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-(oxan-2-ylmethyl)acetamide is sourced from PubChem (CID 45221118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).