3,4-dimethoxy-N-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]benzamide

C20H24N2O4 — CID 31239710

IUPAC3,4-dimethoxy-N-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(=O)N(C)Cc2ccc(C)cc2)cc1OC
InChIInChI=1S/C20H24N2O4/c1-14-5-7-15(8-6-14)13-22(2)19(23)12-21-20(24)16-9-10-17(25-3)18(11-16)26-4/h5-11H,12-13H2,1-4H3,(H,21,24)
InChIKeyPXVWNAWPAVVYRC-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.40
Rot. Bonds7

About 3,4-dimethoxy-N-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]benzamide

3,4-dimethoxy-N-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]benzamide (PubChem CID 31239710) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]benzamide
PubChem CID31239710
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name3,4-dimethoxy-N-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(=O)N(C)Cc2ccc(C)cc2)cc1OC
InChIInChI=1S/C20H24N2O4/c1-14-5-7-15(8-6-14)13-22(2)19(23)12-21-20(24)16-9-10-17(25-3)18(11-16)26-4/h5-11H,12-13H2,1-4H3,(H,21,24)
InChIKeyPXVWNAWPAVVYRC-UHFFFAOYSA-N
XLogP2.40
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethoxy)-N-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31235284
N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-methylbenzamide
CID 24546571
N-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 17480746
3,4-dimethoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide
CID 99274260
3,4,5-trimethoxy-N-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 27788045
2-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]-methylamino]-2-methylpropanoic acid
CID 120518643
N-[2-[[4-(dimethylcarbamoyl)phenyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 46529829
N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]naphthalene-2-carboxamide
CID 24546581
N-[(3,4-dimethoxyphenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60641112
N-[(4-chlorophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 28632210
2-(4-methoxy-3-methylphenyl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 100684189
N-[2-[3-(4-chlorophenoxy)propyl-methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 55948688

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]benzamide (CID 31239710) is 3,4-dimethoxy-N-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]benzamide is COc1ccc(C(=O)NCC(=O)N(C)Cc2ccc(C)cc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]benzamide?
The InChIKey is PXVWNAWPAVVYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-14-5-7-15(8-6-14)13-22(2)19(23)12-21-20(24)16-9-10-17(25-3)18(11-16)26-4/h5-11H,12-13H2,1-4H3,(H,21,24).
What are the key properties of 3,4-dimethoxy-N-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]benzamide?
3,4-dimethoxy-N-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]benzamide has a molecular weight of 356.42 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 31239710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).