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

C23H30N2O4 — CID 113170289

IUPAC2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN(C(C)=O)c2c(C)cccc2C(C)C)cc1OC
InChIInChI=1S/C23H30N2O4/c1-15(2)19-9-7-8-16(3)23(19)25(17(4)26)14-22(27)24-13-18-10-11-20(28-5)21(12-18)29-6/h7-12,15H,13-14H2,1-6H3,(H,24,27)
InChIKeyPYOKUODAYIJVDO-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.80
Rot. Bonds8

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

2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide (PubChem CID 113170289) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
PubChem CID113170289
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN(C(C)=O)c2c(C)cccc2C(C)C)cc1OC
InChIInChI=1S/C23H30N2O4/c1-15(2)19-9-7-8-16(3)23(19)25(17(4)26)14-22(27)24-13-18-10-11-20(28-5)21(12-18)29-6/h7-12,15H,13-14H2,1-6H3,(H,24,27)
InChIKeyPYOKUODAYIJVDO-UHFFFAOYSA-N
XLogP3.80
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-acetyl-2,4,6-trimethylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 113169975
2-(N-acetyl-5-chloro-2-methylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 113171882
2-(N-acetyl-2,4,6-trimethylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 113169973
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 113160440
2-(3,4-dimethoxyphenyl)-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]acetamide
CID 112997410
2-(N-acetyl-3,4-dimethoxyanilino)-N-[(4-chlorophenyl)methyl]acetamide
CID 113174845
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 3613341
2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-[(2-fluorophenyl)methyl]acetamide
CID 113178572
2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N,N-diethylacetamide
CID 113170295
2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113170355
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)propanamide
CID 110755878
N'-[(4-methoxy-3-propan-2-ylphenyl)methyl]oxamide
CID 115191802

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide (CID 113170289) is 2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CN(C(C)=O)c2c(C)cccc2C(C)C)cc1OC.
What is the InChIKey of 2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The InChIKey is PYOKUODAYIJVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-15(2)19-9-7-8-16(3)23(19)25(17(4)26)14-22(27)24-13-18-10-11-20(28-5)21(12-18)29-6/h7-12,15H,13-14H2,1-6H3,(H,24,27).
What are the key properties of 2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide has a molecular weight of 398.50 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 113170289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).