N-[3-(3,5-dimethoxyphenoxy)propyl]-2-methyl-3-(methylamino)propanamide

C16H26N2O4 — CID 119820871

IUPACN-[3-(3,5-dimethoxyphenoxy)propyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCCCOc1cc(OC)cc(OC)c1
InChIInChI=1S/C16H26N2O4/c1-12(11-17-2)16(19)18-6-5-7-22-15-9-13(20-3)8-14(10-15)21-4/h8-10,12,17H,5-7,11H2,1-4H3,(H,18,19)
InChIKeyKIYHFLJCUITZFM-UHFFFAOYSA-N
MW310.39 g/mol
LogP1.44
Rot. Bonds10

About N-[3-(3,5-dimethoxyphenoxy)propyl]-2-methyl-3-(methylamino)propanamide

N-[3-(3,5-dimethoxyphenoxy)propyl]-2-methyl-3-(methylamino)propanamide (PubChem CID 119820871) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is N-[3-(3,5-dimethoxyphenoxy)propyl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethoxyphenoxy)propyl]-2-methyl-3-(methylamino)propanamide
PubChem CID119820871
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC NameN-[3-(3,5-dimethoxyphenoxy)propyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCCCOc1cc(OC)cc(OC)c1
InChIInChI=1S/C16H26N2O4/c1-12(11-17-2)16(19)18-6-5-7-22-15-9-13(20-3)8-14(10-15)21-4/h8-10,12,17H,5-7,11H2,1-4H3,(H,18,19)
InChIKeyKIYHFLJCUITZFM-UHFFFAOYSA-N
XLogP1.44
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methylbutanamide
CID 120502387
2-methyl-3-(methylamino)-N-[4-(4-methylphenoxy)butyl]propanamide;hydrochloride
CID 119722678
2-methyl-3-(methylamino)-N-[2-(4-methylphenoxy)ethyl]propanamide;hydrochloride
CID 119681162
2-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]acetamide;hydrochloride
CID 119344811
N-[2-(3,5-dimethoxyphenoxy)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119822601
2-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]-3-methoxypropanamide
CID 120992852
2-methyl-3-(methylamino)-N-[2-(4-methylsulfonylphenoxy)ethyl]propanamide
CID 119777480
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(2-methoxyethyl)urea
CID 112975608
N-(5-methoxypentyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119756762
4-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]pentanamide
CID 120564115
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-propylurea
CID 112975595
3-[2-(3,5-dimethoxyphenoxy)ethylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122006874

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethoxyphenoxy)propyl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[3-(3,5-dimethoxyphenoxy)propyl]-2-methyl-3-(methylamino)propanamide (CID 119820871) is N-[3-(3,5-dimethoxyphenoxy)propyl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[3-(3,5-dimethoxyphenoxy)propyl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[3-(3,5-dimethoxyphenoxy)propyl]-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)NCCCOc1cc(OC)cc(OC)c1.
What is the InChIKey of N-[3-(3,5-dimethoxyphenoxy)propyl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is KIYHFLJCUITZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-12(11-17-2)16(19)18-6-5-7-22-15-9-13(20-3)8-14(10-15)21-4/h8-10,12,17H,5-7,11H2,1-4H3,(H,18,19).
What are the key properties of N-[3-(3,5-dimethoxyphenoxy)propyl]-2-methyl-3-(methylamino)propanamide?
N-[3-(3,5-dimethoxyphenoxy)propyl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 310.39 g/mol, XLogP of 1.44, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethoxyphenoxy)propyl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 119820871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).