N-[[4-[4-(diethylamino)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide

C22H28N4O2 — CID 166062467

IUPACN-[[4-[4-(diethylamino)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)c1ccc(Nc2ccc(CNC(=O)C3CNC(=O)C3)cc2)cc1
InChIInChI=1S/C22H28N4O2/c1-3-26(4-2)20-11-9-19(10-12-20)25-18-7-5-16(6-8-18)14-24-22(28)17-13-21(27)23-15-17/h5-12,17,25H,3-4,13-15H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyFWCBGTKKBOTXBW-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.03
Rot. Bonds8

About N-[[4-[4-(diethylamino)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide

N-[[4-[4-(diethylamino)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 166062467) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[[4-[4-(diethylamino)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[4-(diethylamino)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID166062467
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-[[4-[4-(diethylamino)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)c1ccc(Nc2ccc(CNC(=O)C3CNC(=O)C3)cc2)cc1
InChIInChI=1S/C22H28N4O2/c1-3-26(4-2)20-11-9-19(10-12-20)25-18-7-5-16(6-8-18)14-24-22(28)17-13-21(27)23-15-17/h5-12,17,25H,3-4,13-15H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyFWCBGTKKBOTXBW-UHFFFAOYSA-N
XLogP3.03
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.03
H-Bond Donors ≤ 53
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

N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78981486
5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 78982237
methyl 4-[[(5-oxopyrrolidine-3-carbonyl)amino]methyl]benzoate
CID 78981862
5-oxo-N-[[4-[[2-(4-propylpiperidin-1-yl)pyrimidin-5-yl]amino]phenyl]methyl]pyrrolidine-3-carboxamide
CID 166062227
N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982179
N-[[4-[[5-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]amino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 166062185
N-[[4-[[6-(4-ethylpiperidin-1-yl)-2-methyl-3-pyridinyl]amino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 166062116
N-[[4-[2-methyl-4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 170180044
1-N-[4-(diethylamino)phenyl]-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135550
N-[[4-(diethylamino)phenyl]methyl]-1-prop-2-ynylpiperidine-4-carboxamide
CID 51092932
N-[[4-[2-fluoro-6-methyl-4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 166062487
N-[[4-(diethylamino)phenyl]methyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide
CID 73253676

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(diethylamino)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[[4-[4-(diethylamino)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 166062467) is N-[[4-[4-(diethylamino)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[4-[4-(diethylamino)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[[4-[4-(diethylamino)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide is CCN(CC)c1ccc(Nc2ccc(CNC(=O)C3CNC(=O)C3)cc2)cc1.
What is the InChIKey of N-[[4-[4-(diethylamino)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FWCBGTKKBOTXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-3-26(4-2)20-11-9-19(10-12-20)25-18-7-5-16(6-8-18)14-24-22(28)17-13-21(27)23-15-17/h5-12,17,25H,3-4,13-15H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N-[[4-[4-(diethylamino)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
N-[[4-[4-(diethylamino)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.03, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(diethylamino)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 166062467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).