1-[4-(diethylamino)phenyl]-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C23H29N3O3 — CID 113189741

IUPAC1-[4-(diethylamino)phenyl]-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)c1ccc(N2CC(C(=O)NCc3ccccc3OC)CC2=O)cc1
InChIInChI=1S/C23H29N3O3/c1-4-25(5-2)19-10-12-20(13-11-19)26-16-18(14-22(26)27)23(28)24-15-17-8-6-7-9-21(17)29-3/h6-13,18H,4-5,14-16H2,1-3H3,(H,24,28)
InChIKeyFYNNRYFCXFZQCS-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.21
Rot. Bonds8

About 1-[4-(diethylamino)phenyl]-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

1-[4-(diethylamino)phenyl]-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 113189741) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 1-[4-(diethylamino)phenyl]-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(diethylamino)phenyl]-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID113189741
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name1-[4-(diethylamino)phenyl]-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)c1ccc(N2CC(C(=O)NCc3ccccc3OC)CC2=O)cc1
InChIInChI=1S/C23H29N3O3/c1-4-25(5-2)19-10-12-20(13-11-19)26-16-18(14-22(26)27)23(28)24-15-17-8-6-7-9-21(17)29-3/h6-13,18H,4-5,14-16H2,1-3H3,(H,24,28)
InChIKeyFYNNRYFCXFZQCS-UHFFFAOYSA-N
XLogP3.21
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethylphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 2889210
(3S)-1-(4-ethylphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 1372393
(3R)-1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 702195
1-[4-(diethylamino)phenyl]-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113189737
(3R)-N-[(2-methoxyphenyl)methyl]-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 40979373
(3S)-1-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 2713254
(3R)-1-(3-chloro-4-methylphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7325501
1-[4-(diethylamino)phenyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 113189756
(3S)-1-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 124749076
1-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113191348
(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 40602516
N-[[2-(methoxymethyl)phenyl]methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 134023238

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)phenyl]-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[4-(diethylamino)phenyl]-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 113189741) is 1-[4-(diethylamino)phenyl]-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[4-(diethylamino)phenyl]-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[4-(diethylamino)phenyl]-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is CCN(CC)c1ccc(N2CC(C(=O)NCc3ccccc3OC)CC2=O)cc1.
What is the InChIKey of 1-[4-(diethylamino)phenyl]-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FYNNRYFCXFZQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-4-25(5-2)19-10-12-20(13-11-19)26-16-18(14-22(26)27)23(28)24-15-17-8-6-7-9-21(17)29-3/h6-13,18H,4-5,14-16H2,1-3H3,(H,24,28).
What are the key properties of 1-[4-(diethylamino)phenyl]-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-[4-(diethylamino)phenyl]-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)phenyl]-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113189741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).