1-(2-methoxyphenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide

C16H21N3O3 — CID 119453996

IUPAC1-(2-methoxyphenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
SMILESCOc1ccccc1N1CC(C(=O)NC2CCNC2)CC1=O
InChIInChI=1S/C16H21N3O3/c1-22-14-5-3-2-4-13(14)19-10-11(8-15(19)20)16(21)18-12-6-7-17-9-12/h2-5,11-12,17H,6-10H2,1H3,(H,18,21)
InChIKeyNQTVWTHHNMENGQ-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.53
Rot. Bonds4

About 1-(2-methoxyphenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide

1-(2-methoxyphenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide (PubChem CID 119453996) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
PubChem CID119453996
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name1-(2-methoxyphenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
SMILESCOc1ccccc1N1CC(C(=O)NC2CCNC2)CC1=O
InChIInChI=1S/C16H21N3O3/c1-22-14-5-3-2-4-13(14)19-10-11(8-15(19)20)16(21)18-12-6-7-17-9-12/h2-5,11-12,17H,6-10H2,1H3,(H,18,21)
InChIKeyNQTVWTHHNMENGQ-UHFFFAOYSA-N
XLogP0.53
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethoxyphenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119426905
1-naphthalen-1-yl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119450160
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
1-(2-bromophenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide
CID 119425027
1-(2-chlorophenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119424407
(3S)-N-(4-iodophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1260458
N-(4-iodophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964415
1-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 24625418
1-(2-methoxyphenyl)-N-methyl-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119444324
(3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide
CID 2555251
(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 94075915
1-(2-methoxyphenyl)-5-oxo-N-propyl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119532928

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-methoxyphenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide (CID 119453996) is 1-(2-methoxyphenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyphenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyphenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide is COc1ccccc1N1CC(C(=O)NC2CCNC2)CC1=O.
What is the InChIKey of 1-(2-methoxyphenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide?
The InChIKey is NQTVWTHHNMENGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-22-14-5-3-2-4-13(14)19-10-11(8-15(19)20)16(21)18-12-6-7-17-9-12/h2-5,11-12,17H,6-10H2,1H3,(H,18,21).
What are the key properties of 1-(2-methoxyphenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide?
1-(2-methoxyphenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 119453996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).