(3R)-N-(3-acetylphenyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide

C16H18N2O3 — CID 39954335

IUPAC(3R)-N-(3-acetylphenyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)c1
InChIInChI=1S/C16H18N2O3/c1-10(19)11-3-2-4-13(7-11)17-16(21)12-8-15(20)18(9-12)14-5-6-14/h2-4,7,12,14H,5-6,8-9H2,1H3,(H,17,21)/t12-/m1/s1
InChIKeyVVPJXSKOGITXLY-GFCCVEGCSA-N
MW286.33 g/mol
LogP1.84
Rot. Bonds4

About (3R)-N-(3-acetylphenyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide

(3R)-N-(3-acetylphenyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 39954335) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is (3R)-N-(3-acetylphenyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-acetylphenyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
PubChem CID39954335
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name(3R)-N-(3-acetylphenyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)c1
InChIInChI=1S/C16H18N2O3/c1-10(19)11-3-2-4-13(7-11)17-16(21)12-8-15(20)18(9-12)14-5-6-14/h2-4,7,12,14H,5-6,8-9H2,1H3,(H,17,21)/t12-/m1/s1
InChIKeyVVPJXSKOGITXLY-GFCCVEGCSA-N
XLogP1.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-1-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113184838
3-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 119219560
1-cyclopentyl-N-[3-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46568551
(3S)-1-cyclopentyl-N-[3-(cyclopropylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 27447746
(3S)-N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 1116191
(3S)-N-(4-acetylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 802193
(3S)-1-cyclopentyl-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9364552
(3R)-N-(3-acetylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 7279210
N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586062
N-(3-cyclopentyloxyphenyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 42949314
N-(3-cyclopentylsulfonylphenyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 55612889
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2266114

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-acetylphenyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(3-acetylphenyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide (CID 39954335) is (3R)-N-(3-acetylphenyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3-acetylphenyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3-acetylphenyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide is CC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)c1.
What is the InChIKey of (3R)-N-(3-acetylphenyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VVPJXSKOGITXLY-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10(19)11-3-2-4-13(7-11)17-16(21)12-8-15(20)18(9-12)14-5-6-14/h2-4,7,12,14H,5-6,8-9H2,1H3,(H,17,21)/t12-/m1/s1.
What are the key properties of (3R)-N-(3-acetylphenyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide?
(3R)-N-(3-acetylphenyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-acetylphenyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 39954335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).