N-(3,5-dimethoxyphenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide

C17H28N2O3 — CID 46594714

IUPACN-(3,5-dimethoxyphenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide
SMILESCOc1cc(NC(=O)CN(C)C(C)C(C)(C)C)cc(OC)c1
InChIInChI=1S/C17H28N2O3/c1-12(17(2,3)4)19(5)11-16(20)18-13-8-14(21-6)10-15(9-13)22-7/h8-10,12H,11H2,1-7H3,(H,18,20)
InChIKeyOLIOTFDFELVMPI-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.01
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide

N-(3,5-dimethoxyphenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide (PubChem CID 46594714) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide
PubChem CID46594714
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC NameN-(3,5-dimethoxyphenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide
SMILESCOc1cc(NC(=O)CN(C)C(C)C(C)(C)C)cc(OC)c1
InChIInChI=1S/C17H28N2O3/c1-12(17(2,3)4)19(5)11-16(20)18-13-8-14(21-6)10-15(9-13)22-7/h8-10,12H,11H2,1-7H3,(H,18,20)
InChIKeyOLIOTFDFELVMPI-UHFFFAOYSA-N
XLogP3.01
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminophenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide
CID 55006642
N-(3,5-dimethoxyphenyl)-2-[ethylsulfonyl(methyl)amino]acetamide
CID 71924471
2-(tert-butylamino)-N-(3,5-dimethoxyphenyl)acetamide
CID 27150052
2-[cycloheptyl(methyl)amino]-N-(3,5-dimethoxyphenyl)acetamide
CID 16577758
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate
CID 23996290
N-(3,5-dimethoxyphenyl)-2-sulfanylacetamide
CID 2971820
2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-(4-methyl-3-nitrophenyl)acetamide
CID 46594715
4-[[2-(3,5-dimethoxyanilino)-2-oxoethyl]-methylamino]butanoic acid
CID 119994299
(2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N,N-dimethylpropanamide
CID 8555923
N-(3,5-dimethoxyphenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 37095514
N-(4-tert-butylphenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 17438079
2-[(3,5-dichlorophenyl)methyl-methylamino]-N-(3,5-dimethoxyphenyl)acetamide
CID 60514415

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide (CID 46594714) is N-(3,5-dimethoxyphenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide is COc1cc(NC(=O)CN(C)C(C)C(C)(C)C)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide?
The InChIKey is OLIOTFDFELVMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-12(17(2,3)4)19(5)11-16(20)18-13-8-14(21-6)10-15(9-13)22-7/h8-10,12H,11H2,1-7H3,(H,18,20).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide?
N-(3,5-dimethoxyphenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide has a molecular weight of 308.42 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide is sourced from PubChem (CID 46594714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).