5-oxo-1-propan-2-yl-N-[4-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide

C18H25N3O3 — CID 17119734

IUPAC5-oxo-1-propan-2-yl-N-[4-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESCCCNC(=O)c1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1
InChIInChI=1S/C18H25N3O3/c1-4-9-19-17(23)13-5-7-15(8-6-13)20-18(24)14-10-16(22)21(11-14)12(2)3/h5-8,12,14H,4,9-11H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyTYJJEVRBYDKUGM-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.02
Rot. Bonds6

About 5-oxo-1-propan-2-yl-N-[4-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide

5-oxo-1-propan-2-yl-N-[4-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 17119734) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 5-oxo-1-propan-2-yl-N-[4-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-propan-2-yl-N-[4-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID17119734
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name5-oxo-1-propan-2-yl-N-[4-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESCCCNC(=O)c1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1
InChIInChI=1S/C18H25N3O3/c1-4-9-19-17(23)13-5-7-15(8-6-13)20-18(24)14-10-16(22)21(11-14)12(2)3/h5-8,12,14H,4,9-11H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyTYJJEVRBYDKUGM-UHFFFAOYSA-N
XLogP2.02
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(4-acetylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 1248305
5-oxo-1-propan-2-yl-N-[4-(pyridin-4-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17119826
N-[4-(dimethylcarbamoyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 17119798
(3S)-N-[4-[(2S)-butan-2-yl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9400508
5-oxo-1-propan-2-yl-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 2951809
(3R)-N-(4-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 1092696
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 17119912
N-[4-[[2-(3-ethoxypropylcarbamoyl)phenyl]carbamoyl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 17119957
4-(cyclohexanecarbonylamino)-N-propylbenzamide
CID 17218748
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 17119767
5-oxo-1-propan-2-yl-N-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]pyrrolidine-3-carboxamide
CID 17119886
N-[4-[(3-methoxyphenyl)carbamoyl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 17119791

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-propan-2-yl-N-[4-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-propan-2-yl-N-[4-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide (CID 17119734) is 5-oxo-1-propan-2-yl-N-[4-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-propan-2-yl-N-[4-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-propan-2-yl-N-[4-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide is CCCNC(=O)c1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1.
What is the InChIKey of 5-oxo-1-propan-2-yl-N-[4-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is TYJJEVRBYDKUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-4-9-19-17(23)13-5-7-15(8-6-13)20-18(24)14-10-16(22)21(11-14)12(2)3/h5-8,12,14H,4,9-11H2,1-3H3,(H,19,23)(H,20,24).
What are the key properties of 5-oxo-1-propan-2-yl-N-[4-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
5-oxo-1-propan-2-yl-N-[4-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-propan-2-yl-N-[4-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 17119734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).