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

C16H22N2O3 — CID 7255137

IUPACN-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]pentanamide
SMILESCCCCC(=O)N[C@H]1CC(=O)N(c2cccc(OC)c2)C1
InChIInChI=1S/C16H22N2O3/c1-3-4-8-15(19)17-12-9-16(20)18(11-12)13-6-5-7-14(10-13)21-2/h5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,17,19)/t12-/m0/s1
InChIKeyREEHURZOWBIGRN-LBPRGKRZSA-N
MW290.36 g/mol
LogP2.11
Rot. Bonds6

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

N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]pentanamide (PubChem CID 7255137) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]pentanamide.

Molecular Properties

Compound NameN-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]pentanamide
PubChem CID7255137
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]pentanamide
SMILESCCCCC(=O)N[C@H]1CC(=O)N(c2cccc(OC)c2)C1
InChIInChI=1S/C16H22N2O3/c1-3-4-8-15(19)17-12-9-16(20)18(11-12)13-6-5-7-14(10-13)21-2/h5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,17,19)/t12-/m0/s1
InChIKeyREEHURZOWBIGRN-LBPRGKRZSA-N
XLogP2.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]butanamide
CID 43970913
N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43970943
1-butyl-3-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methylurea
CID 7543865
[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
N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]pentanamide
CID 7548852
1-benzyl-1-butyl-3-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7543894
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
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

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]pentanamide?
The IUPAC name of N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]pentanamide (CID 7255137) is N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]pentanamide.
What is the SMILES notation for N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]pentanamide?
The canonical SMILES for N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]pentanamide is CCCCC(=O)N[C@H]1CC(=O)N(c2cccc(OC)c2)C1.
What is the InChIKey of N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]pentanamide?
The InChIKey is REEHURZOWBIGRN-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-4-8-15(19)17-12-9-16(20)18(11-12)13-6-5-7-14(10-13)21-2/h5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,17,19)/t12-/m0/s1.
What are the key properties of N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]pentanamide?
N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]pentanamide has a molecular weight of 290.36 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]pentanamide is sourced from PubChem (CID 7255137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).