N-[4-(diethylamino)phenyl]-5-oxo-1-pentylpyrrolidine-3-carboxamide

C20H31N3O2 — CID 113185750

IUPACN-[4-(diethylamino)phenyl]-5-oxo-1-pentylpyrrolidine-3-carboxamide
SMILESCCCCCN1CC(C(=O)Nc2ccc(N(CC)CC)cc2)CC1=O
InChIInChI=1S/C20H31N3O2/c1-4-7-8-13-23-15-16(14-19(23)24)20(25)21-17-9-11-18(12-10-17)22(5-2)6-3/h9-12,16H,4-8,13-15H2,1-3H3,(H,21,25)
InChIKeyMUNBAYXSIMOGNC-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.51
Rot. Bonds9

About N-[4-(diethylamino)phenyl]-5-oxo-1-pentylpyrrolidine-3-carboxamide

N-[4-(diethylamino)phenyl]-5-oxo-1-pentylpyrrolidine-3-carboxamide (PubChem CID 113185750) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-5-oxo-1-pentylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-5-oxo-1-pentylpyrrolidine-3-carboxamide
PubChem CID113185750
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-[4-(diethylamino)phenyl]-5-oxo-1-pentylpyrrolidine-3-carboxamide
SMILESCCCCCN1CC(C(=O)Nc2ccc(N(CC)CC)cc2)CC1=O
InChIInChI=1S/C20H31N3O2/c1-4-7-8-13-23-15-16(14-19(23)24)20(25)21-17-9-11-18(12-10-17)22(5-2)6-3/h9-12,16H,4-8,13-15H2,1-3H3,(H,21,25)
InChIKeyMUNBAYXSIMOGNC-UHFFFAOYSA-N
XLogP3.51
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 42956709
5-oxo-1-pentyl-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113185719
(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
(3R)-N-(4-acetylphenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398255
1-butyl-N-[4-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17153547
5-oxo-1-pentyl-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113185733
N-[4-(diethylamino)phenyl]-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183578
1-butyl-5-oxo-N-[4-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 17018945
1-butyl-N-[4-[butyl(phenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17153681
N-[4-(diethylamino)phenyl]-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186270

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-5-oxo-1-pentylpyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-5-oxo-1-pentylpyrrolidine-3-carboxamide (CID 113185750) is N-[4-(diethylamino)phenyl]-5-oxo-1-pentylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-5-oxo-1-pentylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-5-oxo-1-pentylpyrrolidine-3-carboxamide is CCCCCN1CC(C(=O)Nc2ccc(N(CC)CC)cc2)CC1=O.
What is the InChIKey of N-[4-(diethylamino)phenyl]-5-oxo-1-pentylpyrrolidine-3-carboxamide?
The InChIKey is MUNBAYXSIMOGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-4-7-8-13-23-15-16(14-19(23)24)20(25)21-17-9-11-18(12-10-17)22(5-2)6-3/h9-12,16H,4-8,13-15H2,1-3H3,(H,21,25).
What are the key properties of N-[4-(diethylamino)phenyl]-5-oxo-1-pentylpyrrolidine-3-carboxamide?
N-[4-(diethylamino)phenyl]-5-oxo-1-pentylpyrrolidine-3-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-5-oxo-1-pentylpyrrolidine-3-carboxamide is sourced from PubChem (CID 113185750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).