1-(2-morpholin-4-ylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide

C18H25N3O3 — CID 113189959

IUPAC1-(2-morpholin-4-ylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)C1CC(=O)N(c2ccccc2N2CCOCC2)C1
InChIInChI=1S/C18H25N3O3/c1-13(2)19-18(23)14-11-17(22)21(12-14)16-6-4-3-5-15(16)20-7-9-24-10-8-20/h3-6,13-14H,7-12H2,1-2H3,(H,19,23)
InChIKeyVFIFYHLBNMGBAQ-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.40
Rot. Bonds4

About 1-(2-morpholin-4-ylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide

1-(2-morpholin-4-ylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 113189959) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-morpholin-4-ylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID113189959
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name1-(2-morpholin-4-ylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)C1CC(=O)N(c2ccccc2N2CCOCC2)C1
InChIInChI=1S/C18H25N3O3/c1-13(2)19-18(23)14-11-17(22)21(12-14)16-6-4-3-5-15(16)20-7-9-24-10-8-20/h3-6,13-14H,7-12H2,1-2H3,(H,19,23)
InChIKeyVFIFYHLBNMGBAQ-UHFFFAOYSA-N
XLogP1.40
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 50878785
4-(morpholine-4-carbonyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 113189973
4-(3-methylpiperidine-1-carbonyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 113190000
N-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113189983
1-(2-morpholin-4-ylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113189989
1-(2,6-dichlorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113191212
S-[1-(2-morpholin-4-ylphenyl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168706835
(3R)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 94797170
(3R)-N-[(2R)-butan-2-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 27210673
methyl 5-oxo-1-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylate
CID 50879609
(3S)-N-(2-morpholin-4-ylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9461562
1-(2,6-dimethylphenyl)-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186273

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-morpholin-4-ylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide (CID 113189959) is 1-(2-morpholin-4-ylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-morpholin-4-ylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-morpholin-4-ylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide is CC(C)NC(=O)C1CC(=O)N(c2ccccc2N2CCOCC2)C1.
What is the InChIKey of 1-(2-morpholin-4-ylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is VFIFYHLBNMGBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-13(2)19-18(23)14-11-17(22)21(12-14)16-6-4-3-5-15(16)20-7-9-24-10-8-20/h3-6,13-14H,7-12H2,1-2H3,(H,19,23).
What are the key properties of 1-(2-morpholin-4-ylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
1-(2-morpholin-4-ylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 113189959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).