N-(1-aminopropan-2-yl)-2-(2,6-dimethoxyphenyl)-N-methylacetamide

C14H22N2O3 — CID 119583792

IUPACN-(1-aminopropan-2-yl)-2-(2,6-dimethoxyphenyl)-N-methylacetamide
SMILESCOc1cccc(OC)c1CC(=O)N(C)C(C)CN
InChIInChI=1S/C14H22N2O3/c1-10(9-15)16(2)14(17)8-11-12(18-3)6-5-7-13(11)19-4/h5-7,10H,8-9,15H2,1-4H3
InChIKeyOTOFQDBREVVZCS-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.05
Rot. Bonds6

About N-(1-aminopropan-2-yl)-2-(2,6-dimethoxyphenyl)-N-methylacetamide

N-(1-aminopropan-2-yl)-2-(2,6-dimethoxyphenyl)-N-methylacetamide (PubChem CID 119583792) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2-(2,6-dimethoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2-(2,6-dimethoxyphenyl)-N-methylacetamide
PubChem CID119583792
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-(1-aminopropan-2-yl)-2-(2,6-dimethoxyphenyl)-N-methylacetamide
SMILESCOc1cccc(OC)c1CC(=O)N(C)C(C)CN
InChIInChI=1S/C14H22N2O3/c1-10(9-15)16(2)14(17)8-11-12(18-3)6-5-7-13(11)19-4/h5-7,10H,8-9,15H2,1-4H3
InChIKeyOTOFQDBREVVZCS-UHFFFAOYSA-N
XLogP1.05
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminopropan-2-yl)-2-(2,6-dichlorophenyl)-N-methylacetamide
CID 119584839
N-(1-aminopropan-2-yl)-N-methyl-2-(2-propan-2-yloxyphenyl)acetamide
CID 119582125
N-(1-aminopropan-2-yl)-2-(5-bromo-2-methoxyphenyl)-N-methylacetamide
CID 119583075
N-(1-aminopropan-2-yl)-2-(4-fluorophenyl)-N-methylacetamide
CID 115733563
N-(3-amino-2,2-dimethylpropyl)-2-(2,6-dimethoxyphenyl)-N-methylacetamide;hydrochloride
CID 119655363
2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide;hydrochloride
CID 119319100
3-[[2-(2,6-dimethoxyphenyl)acetyl]-methylamino]propanoic acid
CID 119362723
N-(1-aminopropan-2-yl)-4-(2-ethoxyphenoxy)-N-methylbutanamide
CID 119585067
N-(1-aminopropan-2-yl)-N-methyl-2-[4-(2-methylpropyl)phenyl]acetamide
CID 119583475
3-(aminomethyl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpentanamide
CID 81084373
N-(1-aminopropan-2-yl)-2,3,4-trimethoxy-N-methylbenzamide
CID 104556591
N-(1-aminopropan-2-yl)-2-(2-chlorophenoxy)-N-methylacetamide;hydrochloride
CID 119583328

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2-(2,6-dimethoxyphenyl)-N-methylacetamide?
The IUPAC name of N-(1-aminopropan-2-yl)-2-(2,6-dimethoxyphenyl)-N-methylacetamide (CID 119583792) is N-(1-aminopropan-2-yl)-2-(2,6-dimethoxyphenyl)-N-methylacetamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2-(2,6-dimethoxyphenyl)-N-methylacetamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-2-(2,6-dimethoxyphenyl)-N-methylacetamide is COc1cccc(OC)c1CC(=O)N(C)C(C)CN.
What is the InChIKey of N-(1-aminopropan-2-yl)-2-(2,6-dimethoxyphenyl)-N-methylacetamide?
The InChIKey is OTOFQDBREVVZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(9-15)16(2)14(17)8-11-12(18-3)6-5-7-13(11)19-4/h5-7,10H,8-9,15H2,1-4H3.
What are the key properties of N-(1-aminopropan-2-yl)-2-(2,6-dimethoxyphenyl)-N-methylacetamide?
N-(1-aminopropan-2-yl)-2-(2,6-dimethoxyphenyl)-N-methylacetamide has a molecular weight of 266.34 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-2-(2,6-dimethoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 119583792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).