N-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-phenylbenzamide

C25H26N2O4 — CID 9166749

IUPACN-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-phenylbenzamide
SMILESCOc1cccc(CN(C)C(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)c1OC
InChIInChI=1S/C25H26N2O4/c1-27(17-21-10-7-11-22(30-2)24(21)31-3)23(28)16-26-25(29)20-14-12-19(13-15-20)18-8-5-4-6-9-18/h4-15H,16-17H2,1-3H3,(H,26,29)
InChIKeyCZYJLQYRCXIZPK-UHFFFAOYSA-N
MW418.49 g/mol
LogP3.76
Rot. Bonds8

About N-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-phenylbenzamide

N-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-phenylbenzamide (PubChem CID 9166749) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is N-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-phenylbenzamide
PubChem CID9166749
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC NameN-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-phenylbenzamide
SMILESCOc1cccc(CN(C)C(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)c1OC
InChIInChI=1S/C25H26N2O4/c1-27(17-21-10-7-11-22(30-2)24(21)31-3)23(28)16-26-25(29)20-14-12-19(13-15-20)18-8-5-4-6-9-18/h4-15H,16-17H2,1-3H3,(H,26,29)
InChIKeyCZYJLQYRCXIZPK-UHFFFAOYSA-N
XLogP3.76
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 18113370
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-(propylamino)acetamide
CID 60648390
N-[2-[methyl(quinolin-5-ylmethyl)amino]-2-oxoethyl]benzamide
CID 70751619
N-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 24544434
N-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 17480746
N-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-phenylbenzamide
CID 38562903
[2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9124286
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide
CID 24677632
N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-4-fluorobenzamide
CID 31215861
N-[(2,3-dimethoxyphenyl)methyl]-N,3,5-trimethylbenzamide
CID 7936275
4-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 54868981
N-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]-4-phenylbenzamide
CID 36936630

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-phenylbenzamide?
The IUPAC name of N-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-phenylbenzamide (CID 9166749) is N-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-phenylbenzamide.
What is the SMILES notation for N-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-phenylbenzamide?
The canonical SMILES for N-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-phenylbenzamide is COc1cccc(CN(C)C(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)c1OC.
What is the InChIKey of N-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-phenylbenzamide?
The InChIKey is CZYJLQYRCXIZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-27(17-21-10-7-11-22(30-2)24(21)31-3)23(28)16-26-25(29)20-14-12-19(13-15-20)18-8-5-4-6-9-18/h4-15H,16-17H2,1-3H3,(H,26,29).
What are the key properties of N-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-phenylbenzamide?
N-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-phenylbenzamide has a molecular weight of 418.49 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-phenylbenzamide is sourced from PubChem (CID 9166749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).