N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide

C19H22N2O5 — CID 112999287

IUPACN-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCC(=O)Nc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C19H22N2O5/c1-24-15-7-4-13(5-8-15)10-18(22)20-12-19(23)21-14-6-9-16(25-2)17(11-14)26-3/h4-9,11H,10,12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyGMASBNKQWRRCCF-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.01
Rot. Bonds8

About N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide

N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 112999287) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
PubChem CID112999287
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC NameN-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCC(=O)Nc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C19H22N2O5/c1-24-15-7-4-13(5-8-15)10-18(22)20-12-19(23)21-14-6-9-16(25-2)17(11-14)26-3/h4-9,11H,10,12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyGMASBNKQWRRCCF-UHFFFAOYSA-N
XLogP2.01
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112998708
2-(4-hydroxyphenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]acetamide
CID 122191191
N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112999225
2-[[2-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224501
N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide
CID 112999279
N-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 110776473
2-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)acetamide
CID 2682877
N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-phenylacetamide
CID 9468421
methyl 2-[4-[2-(3,4-dimethoxyanilino)-2-oxoethoxy]phenyl]acetate
CID 7695230
2-(4-methoxyphenyl)-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]acetamide
CID 112999418
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
N-(3,4-dimethoxyphenyl)-2-(4-ethylanilino)acetamide
CID 37465407

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide (CID 112999287) is N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCC(=O)Nc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is GMASBNKQWRRCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-24-15-7-4-13(5-8-15)10-18(22)20-12-19(23)21-14-6-9-16(25-2)17(11-14)26-3/h4-9,11H,10,12H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide?
N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 358.39 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 112999287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).