N-(1,4-diphenylbutyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C28H30N2O2 — CID 24655734

IUPACN-(1,4-diphenylbutyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C(NC(CCCc1ccccc1)c1ccccc1)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C28H30N2O2/c31-27-15-8-20-30(27)21-23-16-18-25(19-17-23)28(32)29-26(24-12-5-2-6-13-24)14-7-11-22-9-3-1-4-10-22/h1-6,9-10,12-13,16-19,26H,7-8,11,14-15,20-21H2,(H,29,32)
InChIKeyLNXMDUSOZSOVKN-UHFFFAOYSA-N
MW426.56 g/mol
LogP5.30
Rot. Bonds9

About N-(1,4-diphenylbutyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide

N-(1,4-diphenylbutyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 24655734) has the molecular formula C28H30N2O2 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-(1,4-diphenylbutyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(1,4-diphenylbutyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID24655734
Molecular FormulaC28H30N2O2
Molecular Weight426.56 g/mol
Exact Mass426.23
IUPAC NameN-(1,4-diphenylbutyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C(NC(CCCc1ccccc1)c1ccccc1)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C28H30N2O2/c31-27-15-8-20-30(27)21-23-16-18-25(19-17-23)28(32)29-26(24-12-5-2-6-13-24)14-7-11-22-9-3-1-4-10-22/h1-6,9-10,12-13,16-19,26H,7-8,11,14-15,20-21H2,(H,29,32)
InChIKeyLNXMDUSOZSOVKN-UHFFFAOYSA-N
XLogP5.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1,4-diphenylbutyl)benzamide
CID 24552366
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 8937962
N-[2-(dimethylamino)-1-phenylethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 24504344
N-[cyclopropyl(phenyl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 46451092
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 7888390
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-4-pyrrol-1-ylbenzamide
CID 47043426
N-(2-amino-1-naphthalen-2-ylethyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide;hydrochloride
CID 120568008
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[(1R)-1-phenylpropyl]benzamide
CID 30400404
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9150722
N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 51954274
N-[(2R)-2-(diethylamino)-2-phenylethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 52524579
(2S)-4-methyl-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]pentanoic acid
CID 119362065

Frequently Asked Questions

What is the IUPAC name of N-(1,4-diphenylbutyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-(1,4-diphenylbutyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 24655734) is N-(1,4-diphenylbutyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(1,4-diphenylbutyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(1,4-diphenylbutyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is O=C(NC(CCCc1ccccc1)c1ccccc1)c1ccc(CN2CCCC2=O)cc1.
What is the InChIKey of N-(1,4-diphenylbutyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is LNXMDUSOZSOVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O2/c31-27-15-8-20-30(27)21-23-16-18-25(19-17-23)28(32)29-26(24-12-5-2-6-13-24)14-7-11-22-9-3-1-4-10-22/h1-6,9-10,12-13,16-19,26H,7-8,11,14-15,20-21H2,(H,29,32).
What are the key properties of N-(1,4-diphenylbutyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-(1,4-diphenylbutyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 426.56 g/mol, XLogP of 5.30, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-diphenylbutyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 24655734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).