N-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]benzamide

C18H20N2O4 — CID 110667730

IUPACN-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]benzamide
SMILESCOc1ccc(N(C)C(=O)CNC(=O)c2ccccc2)cc1OC
InChIInChI=1S/C18H20N2O4/c1-20(14-9-10-15(23-2)16(11-14)24-3)17(21)12-19-18(22)13-7-5-4-6-8-13/h4-11H,12H2,1-3H3,(H,19,22)
InChIKeyIZBGOWQCLMDNOC-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.10
Rot. Bonds6

About N-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]benzamide

N-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]benzamide (PubChem CID 110667730) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]benzamide
PubChem CID110667730
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]benzamide
SMILESCOc1ccc(N(C)C(=O)CNC(=O)c2ccccc2)cc1OC
InChIInChI=1S/C18H20N2O4/c1-20(14-9-10-15(23-2)16(11-14)24-3)17(21)12-19-18(22)13-7-5-4-6-8-13/h4-11H,12H2,1-3H3,(H,19,22)
InChIKeyIZBGOWQCLMDNOC-UHFFFAOYSA-N
XLogP2.10
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(N-methylanilino)-2-oxoethyl]benzamide
CID 12674158
tert-butyl N-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]carbamate
CID 118576972
methyl 3-(3,4-dimethoxy-N-methylanilino)-3-oxopropanoate
CID 115174204
N-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 24544434
2-[(3,4-dimethoxyphenyl)methylamino]-N-methyl-N-phenylacetamide
CID 109003065
3,4-dimethoxy-N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]benzamide
CID 55580515
2-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]-methylamino]-2-methylpropanoic acid
CID 120518643
3-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 110422910
N-(3,4-dimethoxyphenyl)-N,3,3-trimethylbutanamide
CID 110425453
1-(3,4-dimethoxyphenyl)-3-(2-methoxyethyl)-1-methylurea
CID 110422993
2-[(2,4-difluorophenyl)carbamothioylamino]-N-(3,4-dimethoxyphenyl)-N-methylacetamide
CID 118577017
N-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 17480746

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]benzamide?
The IUPAC name of N-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]benzamide (CID 110667730) is N-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]benzamide is COc1ccc(N(C)C(=O)CNC(=O)c2ccccc2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]benzamide?
The InChIKey is IZBGOWQCLMDNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-20(14-9-10-15(23-2)16(11-14)24-3)17(21)12-19-18(22)13-7-5-4-6-8-13/h4-11H,12H2,1-3H3,(H,19,22).
What are the key properties of N-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]benzamide?
N-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]benzamide has a molecular weight of 328.37 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 110667730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).