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

C15H20N2O3 — CID 43970913

IUPACN-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]butanamide
SMILESCCCC(=O)NC1CC(=O)N(c2cccc(OC)c2)C1
InChIInChI=1S/C15H20N2O3/c1-3-5-14(18)16-11-8-15(19)17(10-11)12-6-4-7-13(9-12)20-2/h4,6-7,9,11H,3,5,8,10H2,1-2H3,(H,16,18)
InChIKeyBZYMAPWPIOATKG-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.72
Rot. Bonds5

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

N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]butanamide (PubChem CID 43970913) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]butanamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]butanamide
PubChem CID43970913
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]butanamide
SMILESCCCC(=O)NC1CC(=O)N(c2cccc(OC)c2)C1
InChIInChI=1S/C15H20N2O3/c1-3-5-14(18)16-11-8-15(19)17(10-11)12-6-4-7-13(9-12)20-2/h4,6-7,9,11H,3,5,8,10H2,1-2H3,(H,16,18)
InChIKeyBZYMAPWPIOATKG-UHFFFAOYSA-N
XLogP1.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]pentanamide
CID 7255137
N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43970943
N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]butanamide
CID 7546570
[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969807
ethyl 2-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-2-oxoacetate
CID 7548348
ethyl 4-[[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperazine-1-carboxylate
CID 7544007
ethyl 4-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperazine-1-carboxylate
CID 7544005
1-butyl-3-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methylurea
CID 7543865
N-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-2-oxoethyl]benzamide
CID 134813179
2-(4-fluorophenoxy)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 16822193
4-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548080
3-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,1-di(propan-2-yl)urea
CID 7543850

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]butanamide?
The IUPAC name of N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]butanamide (CID 43970913) is N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]butanamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]butanamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]butanamide is CCCC(=O)NC1CC(=O)N(c2cccc(OC)c2)C1.
What is the InChIKey of N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]butanamide?
The InChIKey is BZYMAPWPIOATKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-5-14(18)16-11-8-15(19)17(10-11)12-6-4-7-13(9-12)20-2/h4,6-7,9,11H,3,5,8,10H2,1-2H3,(H,16,18).
What are the key properties of N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]butanamide?
N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]butanamide has a molecular weight of 276.34 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]butanamide is sourced from PubChem (CID 43970913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).