2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3-methylbutyl)acetamide

C18H28N2O4 — CID 113165592

IUPAC2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3-methylbutyl)acetamide
SMILESCOc1ccc(CN(CC(=O)NCCC(C)C)C(C)=O)cc1OC
InChIInChI=1S/C18H28N2O4/c1-13(2)8-9-19-18(22)12-20(14(3)21)11-15-6-7-16(23-4)17(10-15)24-5/h6-7,10,13H,8-9,11-12H2,1-5H3,(H,19,22)
InChIKeyMYOAZWMGJLLMLU-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.21
Rot. Bonds9

About 2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3-methylbutyl)acetamide

2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3-methylbutyl)acetamide (PubChem CID 113165592) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3-methylbutyl)acetamide
PubChem CID113165592
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3-methylbutyl)acetamide
SMILESCOc1ccc(CN(CC(=O)NCCC(C)C)C(C)=O)cc1OC
InChIInChI=1S/C18H28N2O4/c1-13(2)8-9-19-18(22)12-20(14(3)21)11-15-6-7-16(23-4)17(10-15)24-5/h6-7,10,13H,8-9,11-12H2,1-5H3,(H,19,22)
InChIKeyMYOAZWMGJLLMLU-UHFFFAOYSA-N
XLogP2.21
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl(2-methylpropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 113158865
2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(2,6-difluorophenyl)acetamide
CID 113165654
2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 113165554
N-[2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]ethyl]-2-ethylbutanamide
CID 113056311
2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3-acetylphenyl)acetamide
CID 113165639
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 113160440
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-methylbutyl)acetamide
CID 8721119
2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(3-methylbutyl)acetamide
CID 113172837
1-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(3-methylbutyl)benzene-1,4-dicarboxamide
CID 109048227
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 113163149
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-methylbutyl)acetamide
CID 8810478
2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 113165584

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3-methylbutyl)acetamide (CID 113165592) is 2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3-methylbutyl)acetamide is COc1ccc(CN(CC(=O)NCCC(C)C)C(C)=O)cc1OC.
What is the InChIKey of 2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3-methylbutyl)acetamide?
The InChIKey is MYOAZWMGJLLMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-13(2)8-9-19-18(22)12-20(14(3)21)11-15-6-7-16(23-4)17(10-15)24-5/h6-7,10,13H,8-9,11-12H2,1-5H3,(H,19,22).
What are the key properties of 2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3-methylbutyl)acetamide?
2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3-methylbutyl)acetamide has a molecular weight of 336.43 g/mol, XLogP of 2.21, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 113165592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).