N-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C22H25N3O4 — CID 31211499

IUPACN-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCOc1cccc(CN(C)C(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C22H25N3O4/c1-24(15-16-5-3-6-19(13-16)29-2)21(27)14-23-22(28)17-8-10-18(11-9-17)25-12-4-7-20(25)26/h3,5-6,8-11,13H,4,7,12,14-15H2,1-2H3,(H,23,28)
InChIKeyYRXQHYWKCFKSSQ-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.21
Rot. Bonds7

About N-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 31211499) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID31211499
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCOc1cccc(CN(C)C(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C22H25N3O4/c1-24(15-16-5-3-6-19(13-16)29-2)21(27)14-23-22(28)17-8-10-18(11-9-17)25-12-4-7-20(25)26/h3,5-6,8-11,13H,4,7,12,14-15H2,1-2H3,(H,23,28)
InChIKeyYRXQHYWKCFKSSQ-UHFFFAOYSA-N
XLogP2.21
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24545208
N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9156547
N-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9228101
N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 51218960
N-[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9476611
N-[(3-chlorophenyl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27795184
4-(2-oxopyrrolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 39003599
N-[(4-methoxyphenyl)methyl]-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 51240858
N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27670701
N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 38295305
(E)-N-[(3-methoxyphenyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 26050554
N-[2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24545266

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 31211499) is N-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is COc1cccc(CN(C)C(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)c1.
What is the InChIKey of N-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is YRXQHYWKCFKSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-24(15-16-5-3-6-19(13-16)29-2)21(27)14-23-22(28)17-8-10-18(11-9-17)25-12-4-7-20(25)26/h3,5-6,8-11,13H,4,7,12,14-15H2,1-2H3,(H,23,28).
What are the key properties of N-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 395.46 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 31211499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).