N-[1-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide

C26H28N2O4 — CID 24980056

IUPACN-[1-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCOc1ccc(CN(C)C(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C26H28N2O4/c1-28(18-21-14-15-22(31-2)17-24(21)32-3)26(30)23(16-19-10-6-4-7-11-19)27-25(29)20-12-8-5-9-13-20/h4-15,17,23H,16,18H2,1-3H3,(H,27,29)
InChIKeyCGYXSTLXJKZYQJ-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.70
Rot. Bonds9

About N-[1-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide

N-[1-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 24980056) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[1-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
PubChem CID24980056
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC NameN-[1-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCOc1ccc(CN(C)C(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C26H28N2O4/c1-28(18-21-14-15-22(31-2)17-24(21)32-3)26(30)23(16-19-10-6-4-7-11-19)27-25(29)20-12-8-5-9-13-20/h4-15,17,23H,16,18H2,1-3H3,(H,27,29)
InChIKeyCGYXSTLXJKZYQJ-UHFFFAOYSA-N
XLogP3.70
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The IUPAC name of N-[1-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide (CID 24980056) is N-[1-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for N-[1-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for N-[1-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide is COc1ccc(CN(C)C(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)c(OC)c1.
What is the InChIKey of N-[1-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The InChIKey is CGYXSTLXJKZYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-28(18-21-14-15-22(31-2)17-24(21)32-3)26(30)23(16-19-10-6-4-7-11-19)27-25(29)20-12-8-5-9-13-20/h4-15,17,23H,16,18H2,1-3H3,(H,27,29).
What are the key properties of N-[1-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide?
N-[1-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 432.52 g/mol, XLogP of 3.70, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 24980056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).