3-methoxy-4-(3-methylbutoxy)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide

C25H32N2O4 — CID 78868532

IUPAC3-methoxy-4-(3-methylbutoxy)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
SMILESCOc1cc(C(=O)NCc2cccc(CN3CCCC3=O)c2)ccc1OCCC(C)C
InChIInChI=1S/C25H32N2O4/c1-18(2)11-13-31-22-10-9-21(15-23(22)30-3)25(29)26-16-19-6-4-7-20(14-19)17-27-12-5-8-24(27)28/h4,6-7,9-10,14-15,18H,5,8,11-13,16-17H2,1-3H3,(H,26,29)
InChIKeyQJJLXVGXAYEXLE-UHFFFAOYSA-N
MW424.54 g/mol
LogP4.17
Rot. Bonds10

About 3-methoxy-4-(3-methylbutoxy)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide

3-methoxy-4-(3-methylbutoxy)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide (PubChem CID 78868532) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is 3-methoxy-4-(3-methylbutoxy)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-methoxy-4-(3-methylbutoxy)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
PubChem CID78868532
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC Name3-methoxy-4-(3-methylbutoxy)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
SMILESCOc1cc(C(=O)NCc2cccc(CN3CCCC3=O)c2)ccc1OCCC(C)C
InChIInChI=1S/C25H32N2O4/c1-18(2)11-13-31-22-10-9-21(15-23(22)30-3)25(29)26-16-19-6-4-7-20(14-19)17-27-12-5-8-24(27)28/h4,6-7,9-10,14-15,18H,5,8,11-13,16-17H2,1-3H3,(H,26,29)
InChIKeyQJJLXVGXAYEXLE-UHFFFAOYSA-N
XLogP4.17
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethoxy-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 86981629
N-[(4-fluorophenyl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 112791004
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
4-(difluoromethoxy)-3-methoxy-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide
CID 55713768
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-3-propoxybenzamide
CID 54776757
N-(3,4-dipropoxyphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9376524
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(3-methoxyphenyl)acetamide
CID 55713345
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9264414
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9478642
6,7-dimethoxy-N'-methyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 111269031
1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 78881617
2-[3-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]phenyl]acetic acid
CID 119351564

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(3-methylbutoxy)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide?
The IUPAC name of 3-methoxy-4-(3-methylbutoxy)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide (CID 78868532) is 3-methoxy-4-(3-methylbutoxy)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 3-methoxy-4-(3-methylbutoxy)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide?
The canonical SMILES for 3-methoxy-4-(3-methylbutoxy)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide is COc1cc(C(=O)NCc2cccc(CN3CCCC3=O)c2)ccc1OCCC(C)C.
What is the InChIKey of 3-methoxy-4-(3-methylbutoxy)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide?
The InChIKey is QJJLXVGXAYEXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-18(2)11-13-31-22-10-9-21(15-23(22)30-3)25(29)26-16-19-6-4-7-20(14-19)17-27-12-5-8-24(27)28/h4,6-7,9-10,14-15,18H,5,8,11-13,16-17H2,1-3H3,(H,26,29).
What are the key properties of 3-methoxy-4-(3-methylbutoxy)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide?
3-methoxy-4-(3-methylbutoxy)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide has a molecular weight of 424.54 g/mol, XLogP of 4.17, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(3-methylbutoxy)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 78868532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).