3-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methylbutanamide

C15H24N2O4 — CID 120502387

IUPAC3-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methylbutanamide
SMILESCOc1cc(OC)cc(OCCNC(=O)C(C)C(C)N)c1
InChIInChI=1S/C15H24N2O4/c1-10(11(2)16)15(18)17-5-6-21-14-8-12(19-3)7-13(9-14)20-4/h7-11H,5-6,16H2,1-4H3,(H,17,18)
InChIKeyABADKWPNFCCONL-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.18
Rot. Bonds8

About 3-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methylbutanamide

3-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methylbutanamide (PubChem CID 120502387) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methylbutanamide
PubChem CID120502387
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name3-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methylbutanamide
SMILESCOc1cc(OC)cc(OCCNC(=O)C(C)C(C)N)c1
InChIInChI=1S/C15H24N2O4/c1-10(11(2)16)15(18)17-5-6-21-14-8-12(19-3)7-13(9-14)20-4/h7-11H,5-6,16H2,1-4H3,(H,17,18)
InChIKeyABADKWPNFCCONL-UHFFFAOYSA-N
XLogP1.18
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.18
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

2-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]-3-methoxypropanamide
CID 120992852
4-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]pentanamide
CID 120564115
3-amino-N-[2-(3,4-difluorophenoxy)ethyl]-2-methylbutanamide;hydrochloride
CID 120500595
N-[3-(3,5-dimethoxyphenoxy)propyl]-2-methyl-3-(methylamino)propanamide
CID 119820871
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(2-methoxyethyl)urea
CID 112975608
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-propylurea
CID 112975595
2-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]acetamide;hydrochloride
CID 119344811
3-[2-(3,5-dimethoxyphenoxy)ethylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122006874
4-(aminomethyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]benzamide;hydrochloride
CID 119345843
1-(2,6-diethylphenyl)-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea
CID 112975693
3-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylbutanamide
CID 120504371
N-[2-(3,5-dimethoxyphenoxy)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119822601

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methylbutanamide?
The IUPAC name of 3-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methylbutanamide (CID 120502387) is 3-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methylbutanamide.
What is the SMILES notation for 3-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methylbutanamide?
The canonical SMILES for 3-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methylbutanamide is COc1cc(OC)cc(OCCNC(=O)C(C)C(C)N)c1.
What is the InChIKey of 3-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methylbutanamide?
The InChIKey is ABADKWPNFCCONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-10(11(2)16)15(18)17-5-6-21-14-8-12(19-3)7-13(9-14)20-4/h7-11H,5-6,16H2,1-4H3,(H,17,18).
What are the key properties of 3-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methylbutanamide?
3-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methylbutanamide has a molecular weight of 296.37 g/mol, XLogP of 1.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methylbutanamide is sourced from PubChem (CID 120502387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).