5-oxo-1-pentyl-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide

C19H28N2O2 — CID 113185719

IUPAC5-oxo-1-pentyl-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCCCCCN1CC(C(=O)Nc2ccc(C(C)C)cc2)CC1=O
InChIInChI=1S/C19H28N2O2/c1-4-5-6-11-21-13-16(12-18(21)22)19(23)20-17-9-7-15(8-10-17)14(2)3/h7-10,14,16H,4-6,11-13H2,1-3H3,(H,20,23)
InChIKeyZEDZSMBSYBZEFI-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.79
Rot. Bonds7

About 5-oxo-1-pentyl-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide

5-oxo-1-pentyl-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 113185719) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 5-oxo-1-pentyl-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-pentyl-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID113185719
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name5-oxo-1-pentyl-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCCCCCN1CC(C(=O)Nc2ccc(C(C)C)cc2)CC1=O
InChIInChI=1S/C19H28N2O2/c1-4-5-6-11-21-13-16(12-18(21)22)19(23)20-17-9-7-15(8-10-17)14(2)3/h7-10,14,16H,4-6,11-13H2,1-3H3,(H,20,23)
InChIKeyZEDZSMBSYBZEFI-UHFFFAOYSA-N
XLogP3.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(dimethylamino)propyl]-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 108787281
5-oxo-1-pentyl-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113185733
N-[4-(diethylamino)phenyl]-5-oxo-1-pentylpyrrolidine-3-carboxamide
CID 113185750
(3S)-N-(4-bromophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398060
N-(4-bromophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 17082489
(3S)-1-butyl-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 27195496
N-[4-[(4-butan-2-ylphenyl)carbamoyl]phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 17153451
(3R)-N-(4-acetylphenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398255
N-[4-(butan-2-ylcarbamoyl)phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 17153541
1-butyl-N-[4-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17153547
5-oxo-1-propan-2-yl-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 2951809
1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113184435

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-pentyl-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-pentyl-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide (CID 113185719) is 5-oxo-1-pentyl-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-pentyl-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-pentyl-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide is CCCCCN1CC(C(=O)Nc2ccc(C(C)C)cc2)CC1=O.
What is the InChIKey of 5-oxo-1-pentyl-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is ZEDZSMBSYBZEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-4-5-6-11-21-13-16(12-18(21)22)19(23)20-17-9-7-15(8-10-17)14(2)3/h7-10,14,16H,4-6,11-13H2,1-3H3,(H,20,23).
What are the key properties of 5-oxo-1-pentyl-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
5-oxo-1-pentyl-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 316.44 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-pentyl-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113185719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).