2-(3,4-dimethoxyphenyl)-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]acetamide

C22H28N2O4 — CID 112997410

IUPAC2-(3,4-dimethoxyphenyl)-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]acetamide
SMILESCOc1ccc(CC(=O)NCC(=O)Nc2c(C)cccc2C(C)C)cc1OC
InChIInChI=1S/C22H28N2O4/c1-14(2)17-8-6-7-15(3)22(17)24-21(26)13-23-20(25)12-16-9-10-18(27-4)19(11-16)28-5/h6-11,14H,12-13H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyPXDKMKDRPBDBAB-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.43
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]acetamide (PubChem CID 112997410) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]acetamide
PubChem CID112997410
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]acetamide
SMILESCOc1ccc(CC(=O)NCC(=O)Nc2c(C)cccc2C(C)C)cc1OC
InChIInChI=1S/C22H28N2O4/c1-14(2)17-8-6-7-15(3)22(17)24-21(26)13-23-20(25)12-16-9-10-18(27-4)19(11-16)28-5/h6-11,14H,12-13H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyPXDKMKDRPBDBAB-UHFFFAOYSA-N
XLogP3.43
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 112997414
2-methoxy-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]benzamide
CID 112997388
2-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 28633130
1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 55696677
(4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium
CID 2656821
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(3,4-dimethylphenyl)acetamide
CID 7676831
2-(3,4-dimethoxyphenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]acetamide
CID 112998555
2-(3,4-dimethoxyphenyl)ethyl-[(2S)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-methylazanium
CID 9036100
N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 113000660
3-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)propanamide
CID 19220644
2-(3,4-dimethoxyphenyl)-N-(2-methylphenyl)acetamide
CID 835508
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 112996997

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]acetamide (CID 112997410) is 2-(3,4-dimethoxyphenyl)-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]acetamide is COc1ccc(CC(=O)NCC(=O)Nc2c(C)cccc2C(C)C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]acetamide?
The InChIKey is PXDKMKDRPBDBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-14(2)17-8-6-7-15(3)22(17)24-21(26)13-23-20(25)12-16-9-10-18(27-4)19(11-16)28-5/h6-11,14H,12-13H2,1-5H3,(H,23,25)(H,24,26).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]acetamide has a molecular weight of 384.48 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 112997410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).