1-(3-methoxyphenyl)-4-(3-phenylazepane-1-carbonyl)pyrrolidin-2-one

C24H28N2O3 — CID 90608508

IUPAC1-(3-methoxyphenyl)-4-(3-phenylazepane-1-carbonyl)pyrrolidin-2-one
SMILESCOc1cccc(N2CC(C(=O)N3CCCCC(c4ccccc4)C3)CC2=O)c1
InChIInChI=1S/C24H28N2O3/c1-29-22-12-7-11-21(15-22)26-17-20(14-23(26)27)24(28)25-13-6-5-10-19(16-25)18-8-3-2-4-9-18/h2-4,7-9,11-12,15,19-20H,5-6,10,13-14,16-17H2,1H3
InChIKeyHGIYEIGDBUXFEY-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.84
Rot. Bonds4

About 1-(3-methoxyphenyl)-4-(3-phenylazepane-1-carbonyl)pyrrolidin-2-one

1-(3-methoxyphenyl)-4-(3-phenylazepane-1-carbonyl)pyrrolidin-2-one (PubChem CID 90608508) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-4-(3-phenylazepane-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-4-(3-phenylazepane-1-carbonyl)pyrrolidin-2-one
PubChem CID90608508
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name1-(3-methoxyphenyl)-4-(3-phenylazepane-1-carbonyl)pyrrolidin-2-one
SMILESCOc1cccc(N2CC(C(=O)N3CCCCC(c4ccccc4)C3)CC2=O)c1
InChIInChI=1S/C24H28N2O3/c1-29-22-12-7-11-21(15-22)26-17-20(14-23(26)27)24(28)25-13-6-5-10-19(16-25)18-8-3-2-4-9-18/h2-4,7-9,11-12,15,19-20H,5-6,10,13-14,16-17H2,1H3
InChIKeyHGIYEIGDBUXFEY-UHFFFAOYSA-N
XLogP3.84
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 29129258
1-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 46557998
(4R)-1-(3-methoxyphenyl)-4-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 51933562
1-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 9388657
1-(3-methoxyphenyl)-4-(3-pyrimidin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 122257345
(4R)-1-(3-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 9375968
1-(3-bromophenyl)-4-[3-(4-chlorophenyl)azepane-1-carbonyl]pyrrolidin-2-one
CID 121146435
1-(3-methoxyphenyl)-4-(2-phenyl-1,3-thiazolidine-3-carbonyl)pyrrolidin-2-one
CID 122329174
(4R)-1-(3-methoxyphenyl)-4-[(3S)-3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 51597058
(3-methoxyphenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 740543
tert-butyl 4-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 29132211
tert-butyl 4-[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 42651559

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-4-(3-phenylazepane-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(3-methoxyphenyl)-4-(3-phenylazepane-1-carbonyl)pyrrolidin-2-one (CID 90608508) is 1-(3-methoxyphenyl)-4-(3-phenylazepane-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-methoxyphenyl)-4-(3-phenylazepane-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-methoxyphenyl)-4-(3-phenylazepane-1-carbonyl)pyrrolidin-2-one is COc1cccc(N2CC(C(=O)N3CCCCC(c4ccccc4)C3)CC2=O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-4-(3-phenylazepane-1-carbonyl)pyrrolidin-2-one?
The InChIKey is HGIYEIGDBUXFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-29-22-12-7-11-21(15-22)26-17-20(14-23(26)27)24(28)25-13-6-5-10-19(16-25)18-8-3-2-4-9-18/h2-4,7-9,11-12,15,19-20H,5-6,10,13-14,16-17H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-4-(3-phenylazepane-1-carbonyl)pyrrolidin-2-one?
1-(3-methoxyphenyl)-4-(3-phenylazepane-1-carbonyl)pyrrolidin-2-one has a molecular weight of 392.50 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-4-(3-phenylazepane-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 90608508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).