N-[2-(N-ethylanilino)ethyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide

C23H29N3O2 — CID 4277116

IUPACN-[2-(N-ethylanilino)ethyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCCN(CCNC(=O)C1CCC(=O)N1Cc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C23H29N3O2/c1-3-25(20-7-5-4-6-8-20)16-15-24-23(28)21-13-14-22(27)26(21)17-19-11-9-18(2)10-12-19/h4-12,21H,3,13-17H2,1-2H3,(H,24,28)
InChIKeyAQNLNZXKIYNTLU-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.13
Rot. Bonds8

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

N-[2-(N-ethylanilino)ethyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 4277116) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[2-(N-ethylanilino)ethyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(N-ethylanilino)ethyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID4277116
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[2-(N-ethylanilino)ethyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCCN(CCNC(=O)C1CCC(=O)N1Cc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C23H29N3O2/c1-3-25(20-7-5-4-6-8-20)16-15-24-23(28)21-13-14-22(27)26(21)17-19-11-9-18(2)10-12-19/h4-12,21H,3,13-17H2,1-2H3,(H,24,28)
InChIKeyAQNLNZXKIYNTLU-UHFFFAOYSA-N
XLogP3.13
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 71157
1-cyclohexyl-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
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CID 445368
2-(2-Amino-phenyl)-N-methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide
CID 10090773
3-[(4-Fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 2877115
N-(4-((4-Phenylpiperazin-1-yl)methyl)phenylmethyl)acetamide
CID 11652722
Lidocaine, Prilocaine Drug Combination
CID 9911821
1-Benzyl-3-(hydroxyanilino)-2,5-pyrrolidinedione
CID 2837843
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-(Trifluoroacetyl)-L-Phenylalanyl-N-[4-(Trifluoromethyl)phenyl]-L-Alaninamide
CID 5497044
1-methyl-3-phenyl-4-(phenylamino)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539523

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-ethylanilino)ethyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(N-ethylanilino)ethyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (CID 4277116) is N-[2-(N-ethylanilino)ethyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(N-ethylanilino)ethyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(N-ethylanilino)ethyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is CCN(CCNC(=O)C1CCC(=O)N1Cc1ccc(C)cc1)c1ccccc1.
What is the InChIKey of N-[2-(N-ethylanilino)ethyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is AQNLNZXKIYNTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-3-25(20-7-5-4-6-8-20)16-15-24-23(28)21-13-14-22(27)26(21)17-19-11-9-18(2)10-12-19/h4-12,21H,3,13-17H2,1-2H3,(H,24,28).
What are the key properties of N-[2-(N-ethylanilino)ethyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
N-[2-(N-ethylanilino)ethyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-ethylanilino)ethyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 4277116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).