N-ethyl-1-methyl-N-[[4-(4-methyl-2-pyrrolidin-1-ylanilino)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide

C26H34N4O2 — CID 168752955

IUPACN-ethyl-1-methyl-N-[[4-(4-methyl-2-pyrrolidin-1-ylanilino)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN(Cc1ccc(Nc2ccc(C)cc2N2CCCC2)cc1)C(=O)C1CC(=O)N(C)C1
InChIInChI=1S/C26H34N4O2/c1-4-29(26(32)21-16-25(31)28(3)18-21)17-20-8-10-22(11-9-20)27-23-12-7-19(2)15-24(23)30-13-5-6-14-30/h7-12,15,21,27H,4-6,13-14,16-18H2,1-3H3
InChIKeyDAJGZWKIQVXBGD-UHFFFAOYSA-N
MW434.58 g/mol
LogP4.17
Rot. Bonds7

About N-ethyl-1-methyl-N-[[4-(4-methyl-2-pyrrolidin-1-ylanilino)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide

N-ethyl-1-methyl-N-[[4-(4-methyl-2-pyrrolidin-1-ylanilino)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 168752955) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is N-ethyl-1-methyl-N-[[4-(4-methyl-2-pyrrolidin-1-ylanilino)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-methyl-N-[[4-(4-methyl-2-pyrrolidin-1-ylanilino)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID168752955
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC NameN-ethyl-1-methyl-N-[[4-(4-methyl-2-pyrrolidin-1-ylanilino)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN(Cc1ccc(Nc2ccc(C)cc2N2CCCC2)cc1)C(=O)C1CC(=O)N(C)C1
InChIInChI=1S/C26H34N4O2/c1-4-29(26(32)21-16-25(31)28(3)18-21)17-20-8-10-22(11-9-20)27-23-12-7-19(2)15-24(23)30-13-5-6-14-30/h7-12,15,21,27H,4-6,13-14,16-18H2,1-3H3
InChIKeyDAJGZWKIQVXBGD-UHFFFAOYSA-N
XLogP4.17
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-ethyl-5-oxo-1-pentylpyrrolidine-3-carboxamide
CID 113185676
4-[[methyl-(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]benzoic acid
CID 60754710
ethyl 2-[benzyl-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 95179575
ethyl 2-[benzyl-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 95179574
N-hydroxy-1-methyl-5-oxo-N-[[4-(4-piperidin-1-ylanilino)-2-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 166062567
2-[ethyl-(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid
CID 61022712
N,N-diethyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84504205
(3R)-1-tert-butyl-N-ethyl-N-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97122756
2,2-dimethylpropane;N-ethyl-N-[(4-methylphenyl)methyl]cyclobutanecarboxamide;toluene
CID 145373799
N-benzyl-1-(3-chloro-2-methylphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 113187488
1-(2,5-dimethylphenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide
CID 17151749
1-(5-chloro-2-methoxyphenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 55594663

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-N-[[4-(4-methyl-2-pyrrolidin-1-ylanilino)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-ethyl-1-methyl-N-[[4-(4-methyl-2-pyrrolidin-1-ylanilino)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 168752955) is N-ethyl-1-methyl-N-[[4-(4-methyl-2-pyrrolidin-1-ylanilino)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-methyl-N-[[4-(4-methyl-2-pyrrolidin-1-ylanilino)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-methyl-N-[[4-(4-methyl-2-pyrrolidin-1-ylanilino)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide is CCN(Cc1ccc(Nc2ccc(C)cc2N2CCCC2)cc1)C(=O)C1CC(=O)N(C)C1.
What is the InChIKey of N-ethyl-1-methyl-N-[[4-(4-methyl-2-pyrrolidin-1-ylanilino)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DAJGZWKIQVXBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-4-29(26(32)21-16-25(31)28(3)18-21)17-20-8-10-22(11-9-20)27-23-12-7-19(2)15-24(23)30-13-5-6-14-30/h7-12,15,21,27H,4-6,13-14,16-18H2,1-3H3.
What are the key properties of N-ethyl-1-methyl-N-[[4-(4-methyl-2-pyrrolidin-1-ylanilino)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
N-ethyl-1-methyl-N-[[4-(4-methyl-2-pyrrolidin-1-ylanilino)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 434.58 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-N-[[4-(4-methyl-2-pyrrolidin-1-ylanilino)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168752955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).