N-[3-(N-ethyl-3-methylanilino)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide

C25H33N3O2 — CID 3242140

IUPACN-[3-(N-ethyl-3-methylanilino)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCCN(CCCNC(=O)C1CCC(=O)N1Cc1ccc(C)cc1)c1cccc(C)c1
InChIInChI=1S/C25H33N3O2/c1-4-27(22-8-5-7-20(3)17-22)16-6-15-26-25(30)23-13-14-24(29)28(23)18-21-11-9-19(2)10-12-21/h5,7-12,17,23H,4,6,13-16,18H2,1-3H3,(H,26,30)
InChIKeyWEBKIHMYSVETIK-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.83
Rot. Bonds9

About N-[3-(N-ethyl-3-methylanilino)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide

N-[3-(N-ethyl-3-methylanilino)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 3242140) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[3-(N-ethyl-3-methylanilino)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(N-ethyl-3-methylanilino)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID3242140
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC NameN-[3-(N-ethyl-3-methylanilino)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCCN(CCCNC(=O)C1CCC(=O)N1Cc1ccc(C)cc1)c1cccc(C)c1
InChIInChI=1S/C25H33N3O2/c1-4-27(22-8-5-7-20(3)17-22)16-6-15-26-25(30)23-13-14-24(29)28(23)18-21-11-9-19(2)10-12-21/h5,7-12,17,23H,4,6,13-16,18H2,1-3H3,(H,26,30)
InChIKeyWEBKIHMYSVETIK-UHFFFAOYSA-N
XLogP3.83
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2844150
3-[(4-Fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 2877115
N-(1-Benzyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide
CID 562745
5-{[4-(4-Fluorophenyl)piperazin-1-yl]carbonyl}-1-(4-methylbenzyl)pyrrolidin-2-one
CID 3240795
N-(3-benzylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 16072556
N5-[4-Benzylphenyl]-L-glutamamide
CID 24901616
Nalpha-{(2e)-3-[4-(Dimethylamino)phenyl]prop-2-Enoyl}-N-{(2s)-1-Oxo-3-[(3s)-2-Oxopyrrolidin-3-Yl]propan-2-Yl}-L-Phenylalaninamide
CID 44578236
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-phenylpyrrolidine-2-carboxamide
CID 23646334
1-(4-Methylphenyl)-3-[(4-methylphenyl)amino]-2,5-pyrrolidinedione
CID 2927700
2-(3-Amino-phenyl)-N-methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide
CID 9974346
formic acid;(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-naphthalen-1-ylpyrrolidine-2-carboxamide
CID 25199554
(2S)-N-[(2S)-1-(3-methylanilino)-1-oxo-7-sulfanylheptan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 118721860

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-ethyl-3-methylanilino)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[3-(N-ethyl-3-methylanilino)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (CID 3242140) is N-[3-(N-ethyl-3-methylanilino)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-(N-ethyl-3-methylanilino)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-(N-ethyl-3-methylanilino)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is CCN(CCCNC(=O)C1CCC(=O)N1Cc1ccc(C)cc1)c1cccc(C)c1.
What is the InChIKey of N-[3-(N-ethyl-3-methylanilino)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is WEBKIHMYSVETIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-4-27(22-8-5-7-20(3)17-22)16-6-15-26-25(30)23-13-14-24(29)28(23)18-21-11-9-19(2)10-12-21/h5,7-12,17,23H,4,6,13-16,18H2,1-3H3,(H,26,30).
What are the key properties of N-[3-(N-ethyl-3-methylanilino)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
N-[3-(N-ethyl-3-methylanilino)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 407.56 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-ethyl-3-methylanilino)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 3242140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).