2-[(5-acetyl-2-methoxyphenyl)methyl-methylamino]-N-tert-butylacetamide

C17H26N2O3 — CID 8766908

IUPAC2-[(5-acetyl-2-methoxyphenyl)methyl-methylamino]-N-tert-butylacetamide
SMILESCOc1ccc(C(C)=O)cc1CN(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C17H26N2O3/c1-12(20)13-7-8-15(22-6)14(9-13)10-19(5)11-16(21)18-17(2,3)4/h7-9H,10-11H2,1-6H3,(H,18,21)
InChIKeyQEWAPGLYJMPGPS-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.24
Rot. Bonds6

About 2-[(5-acetyl-2-methoxyphenyl)methyl-methylamino]-N-tert-butylacetamide

2-[(5-acetyl-2-methoxyphenyl)methyl-methylamino]-N-tert-butylacetamide (PubChem CID 8766908) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[(5-acetyl-2-methoxyphenyl)methyl-methylamino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[(5-acetyl-2-methoxyphenyl)methyl-methylamino]-N-tert-butylacetamide
PubChem CID8766908
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name2-[(5-acetyl-2-methoxyphenyl)methyl-methylamino]-N-tert-butylacetamide
SMILESCOc1ccc(C(C)=O)cc1CN(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C17H26N2O3/c1-12(20)13-7-8-15(22-6)14(9-13)10-19(5)11-16(21)18-17(2,3)4/h7-9H,10-11H2,1-6H3,(H,18,21)
InChIKeyQEWAPGLYJMPGPS-UHFFFAOYSA-N
XLogP2.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-methylamino]-N-tert-butylacetamide
CID 8808299
1-[4-methoxy-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]ethanone
CID 60893124
1-[3-[[3-hydroxybutyl(methyl)amino]methyl]-4-methoxyphenyl]ethanone
CID 115665994
1-[4-methoxy-3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]ethanone
CID 63965306
2-[(5-acetyl-2-methoxyphenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 62923869
2-(5-acetyl-2-methoxyphenyl)-N,N-dimethylacetamide
CID 78792072
3-[[2,2-dimethylpropyl(methyl)amino]methyl]-4-methoxybenzoic acid
CID 62019167
1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone
CID 4689851
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
N-(4-acetylphenyl)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 9101527
2-[(5-acetyl-2-ethoxyphenyl)methyl-methylamino]acetic acid
CID 43442595
N-tert-butyl-2-[[4-(difluoromethylsulfanyl)-3-methoxyphenyl]methyl-methylamino]acetamide
CID 51107023

Frequently Asked Questions

What is the IUPAC name of 2-[(5-acetyl-2-methoxyphenyl)methyl-methylamino]-N-tert-butylacetamide?
The IUPAC name of 2-[(5-acetyl-2-methoxyphenyl)methyl-methylamino]-N-tert-butylacetamide (CID 8766908) is 2-[(5-acetyl-2-methoxyphenyl)methyl-methylamino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[(5-acetyl-2-methoxyphenyl)methyl-methylamino]-N-tert-butylacetamide?
The canonical SMILES for 2-[(5-acetyl-2-methoxyphenyl)methyl-methylamino]-N-tert-butylacetamide is COc1ccc(C(C)=O)cc1CN(C)CC(=O)NC(C)(C)C.
What is the InChIKey of 2-[(5-acetyl-2-methoxyphenyl)methyl-methylamino]-N-tert-butylacetamide?
The InChIKey is QEWAPGLYJMPGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12(20)13-7-8-15(22-6)14(9-13)10-19(5)11-16(21)18-17(2,3)4/h7-9H,10-11H2,1-6H3,(H,18,21).
What are the key properties of 2-[(5-acetyl-2-methoxyphenyl)methyl-methylamino]-N-tert-butylacetamide?
2-[(5-acetyl-2-methoxyphenyl)methyl-methylamino]-N-tert-butylacetamide has a molecular weight of 306.41 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-acetyl-2-methoxyphenyl)methyl-methylamino]-N-tert-butylacetamide is sourced from PubChem (CID 8766908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).