N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(2-oxopyrrolidin-1-yl)butanamide

C19H25N3O4 — CID 131892377

IUPACN-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESCOc1ccc(N2CC(NC(=O)CCCN3CCCC3=O)CC2=O)cc1
InChIInChI=1S/C19H25N3O4/c1-26-16-8-6-15(7-9-16)22-13-14(12-19(22)25)20-17(23)4-2-10-21-11-3-5-18(21)24/h6-9,14H,2-5,10-13H2,1H3,(H,20,23)
InChIKeyXJQDEMGOROQYJT-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.32
Rot. Bonds7

About N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(2-oxopyrrolidin-1-yl)butanamide

N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 131892377) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID131892377
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC NameN-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESCOc1ccc(N2CC(NC(=O)CCCN3CCCC3=O)CC2=O)cc1
InChIInChI=1S/C19H25N3O4/c1-26-16-8-6-15(7-9-16)22-13-14(12-19(22)25)20-17(23)4-2-10-21-11-3-5-18(21)24/h6-9,14H,2-5,10-13H2,1H3,(H,20,23)
InChIKeyXJQDEMGOROQYJT-UHFFFAOYSA-N
XLogP1.32
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-oxoazepan-1-yl)propanamide
CID 131899265
1-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 7544280
ethyl 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-4-oxobutanoate
CID 43971015
N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43971002
3-(4-methoxyphenyl)-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 7255066
1-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 7513825
N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 7563965
N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]pentanamide
CID 7548852
2-(4-methoxyphenyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7546938
N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 7215319
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 43971073
(3R)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylpiperidine-1-carboxamide
CID 7544881

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(2-oxopyrrolidin-1-yl)butanamide (CID 131892377) is N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(2-oxopyrrolidin-1-yl)butanamide is COc1ccc(N2CC(NC(=O)CCCN3CCCC3=O)CC2=O)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is XJQDEMGOROQYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-26-16-8-6-15(7-9-16)22-13-14(12-19(22)25)20-17(23)4-2-10-21-11-3-5-18(21)24/h6-9,14H,2-5,10-13H2,1H3,(H,20,23).
What are the key properties of N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(2-oxopyrrolidin-1-yl)butanamide?
N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 359.43 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 131892377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).