3-amino-N-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylpropanamide

C14H22N2O3 — CID 115153528

IUPAC3-amino-N-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylpropanamide
SMILESCOc1cc(NC(=O)C(C)CN)c(OC)c(C)c1C
InChIInChI=1S/C14H22N2O3/c1-8(7-15)14(17)16-11-6-12(18-4)9(2)10(3)13(11)19-5/h6,8H,7,15H2,1-5H3,(H,16,17)
InChIKeyYKESGDMAPZHEGE-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.85
Rot. Bonds5

About 3-amino-N-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylpropanamide

3-amino-N-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylpropanamide (PubChem CID 115153528) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-amino-N-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylpropanamide
PubChem CID115153528
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-amino-N-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylpropanamide
SMILESCOc1cc(NC(=O)C(C)CN)c(OC)c(C)c1C
InChIInChI=1S/C14H22N2O3/c1-8(7-15)14(17)16-11-6-12(18-4)9(2)10(3)13(11)19-5/h6,8H,7,15H2,1-5H3,(H,16,17)
InChIKeyYKESGDMAPZHEGE-UHFFFAOYSA-N
XLogP1.85
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpropanamide
CID 115153476
3-amino-N-(4-methoxy-3,5-dimethylphenyl)-2-methylpropanamide
CID 115153518
N-(2,5-dimethoxy-3,4-dimethylphenyl)-2-oxopropanamide
CID 115175414
N-(5-acetamido-2-methoxyphenyl)-3-amino-2-methylpropanamide
CID 62671021
N-(2-amino-4,5-dimethoxyphenyl)-2-methylbutanamide
CID 43549148
1-N-(2,5-dimethoxy-3,4-dimethylphenyl)propane-1,2-diamine
CID 115196355
4-amino-1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylbutan-1-one
CID 116916071
3,4-dimethoxy-5-(2-methylbutanoylamino)benzoic acid
CID 119214125
3-amino-N-[(2-methoxy-4,5-dimethylphenyl)methyl]-2-methylpropanamide
CID 115153646
N-(4-methoxy-2,3-dimethylphenyl)-2-methylpropanamide
CID 110777719
3-amino-2-methyl-N-(2,4,5-trifluorophenyl)propanamide
CID 62815213
3-amino-N-(3-ethoxy-4-methoxyphenyl)-2-methylpropanamide
CID 55104746

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylpropanamide?
The IUPAC name of 3-amino-N-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylpropanamide (CID 115153528) is 3-amino-N-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylpropanamide?
The canonical SMILES for 3-amino-N-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylpropanamide is COc1cc(NC(=O)C(C)CN)c(OC)c(C)c1C.
What is the InChIKey of 3-amino-N-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylpropanamide?
The InChIKey is YKESGDMAPZHEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-8(7-15)14(17)16-11-6-12(18-4)9(2)10(3)13(11)19-5/h6,8H,7,15H2,1-5H3,(H,16,17).
What are the key properties of 3-amino-N-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylpropanamide?
3-amino-N-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylpropanamide has a molecular weight of 266.34 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylpropanamide is sourced from PubChem (CID 115153528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).