N-(4-methoxy-2,3,5-trimethylphenyl)-3-(methylamino)propanamide

C14H22N2O2 — CID 96676162

IUPACN-(4-methoxy-2,3,5-trimethylphenyl)-3-(methylamino)propanamide
SMILESCNCCC(=O)Nc1cc(C)c(OC)c(C)c1C
InChIInChI=1S/C14H22N2O2/c1-9-8-12(16-13(17)6-7-15-4)10(2)11(3)14(9)18-5/h8,15H,6-7H2,1-5H3,(H,16,17)
InChIKeyGVXUSMCSPXTZCX-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.17
Rot. Bonds5

About N-(4-methoxy-2,3,5-trimethylphenyl)-3-(methylamino)propanamide

N-(4-methoxy-2,3,5-trimethylphenyl)-3-(methylamino)propanamide (PubChem CID 96676162) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(4-methoxy-2,3,5-trimethylphenyl)-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-(4-methoxy-2,3,5-trimethylphenyl)-3-(methylamino)propanamide
PubChem CID96676162
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(4-methoxy-2,3,5-trimethylphenyl)-3-(methylamino)propanamide
SMILESCNCCC(=O)Nc1cc(C)c(OC)c(C)c1C
InChIInChI=1S/C14H22N2O2/c1-9-8-12(16-13(17)6-7-15-4)10(2)11(3)14(9)18-5/h8,15H,6-7H2,1-5H3,(H,16,17)
InChIKeyGVXUSMCSPXTZCX-UHFFFAOYSA-N
XLogP2.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxy-2,4-dimethylphenyl)-4-(methylamino)butanamide
CID 60842237
N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-3-(methylamino)propanamide
CID 115153253
methyl 2-(4-methoxy-2,3,5-trimethylanilino)acetate
CID 115232672
N-(2-hydroxy-4-methoxyphenyl)-3-(methylamino)propanamide
CID 102695280
4-(3-methoxy-2,4-dimethylanilino)-4-oxobutanoic acid
CID 54868313
2-(4-methoxy-2,3,5-trimethylanilino)-2-methylpropanoic acid
CID 115127764
N-(2-methoxyphenyl)-3-(methylamino)propanamide
CID 54773589
N,N'-bis(5-methoxy-2-methylphenyl)decanediamide
CID 10670784
4-hydroxy-N-(3-methoxy-2,4-dimethylphenyl)pentanamide
CID 79203586
2,3-dimethyl-5-[3-(methylamino)propanoylamino]benzoic acid
CID 63021225
3-bromo-N-(5-methoxy-2-methylphenyl)propanamide
CID 130496323
4-methoxy-N-(methoxymethyl)-2,3,5-trimethylaniline
CID 115258230

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2,3,5-trimethylphenyl)-3-(methylamino)propanamide?
The IUPAC name of N-(4-methoxy-2,3,5-trimethylphenyl)-3-(methylamino)propanamide (CID 96676162) is N-(4-methoxy-2,3,5-trimethylphenyl)-3-(methylamino)propanamide.
What is the SMILES notation for N-(4-methoxy-2,3,5-trimethylphenyl)-3-(methylamino)propanamide?
The canonical SMILES for N-(4-methoxy-2,3,5-trimethylphenyl)-3-(methylamino)propanamide is CNCCC(=O)Nc1cc(C)c(OC)c(C)c1C.
What is the InChIKey of N-(4-methoxy-2,3,5-trimethylphenyl)-3-(methylamino)propanamide?
The InChIKey is GVXUSMCSPXTZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9-8-12(16-13(17)6-7-15-4)10(2)11(3)14(9)18-5/h8,15H,6-7H2,1-5H3,(H,16,17).
What are the key properties of N-(4-methoxy-2,3,5-trimethylphenyl)-3-(methylamino)propanamide?
N-(4-methoxy-2,3,5-trimethylphenyl)-3-(methylamino)propanamide has a molecular weight of 250.34 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2,3,5-trimethylphenyl)-3-(methylamino)propanamide is sourced from PubChem (CID 96676162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).