3-[2-(3-methoxyphenyl)ethylamino]-N-(3-methylbutyl)propanamide

C17H28N2O2 — CID 109025637

IUPAC3-[2-(3-methoxyphenyl)ethylamino]-N-(3-methylbutyl)propanamide
SMILESCOc1cccc(CCNCCC(=O)NCCC(C)C)c1
InChIInChI=1S/C17H28N2O2/c1-14(2)7-12-19-17(20)9-11-18-10-8-15-5-4-6-16(13-15)21-3/h4-6,13-14,18H,7-12H2,1-3H3,(H,19,20)
InChIKeySDIQPRZKUGKUII-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.38
Rot. Bonds10

About 3-[2-(3-methoxyphenyl)ethylamino]-N-(3-methylbutyl)propanamide

3-[2-(3-methoxyphenyl)ethylamino]-N-(3-methylbutyl)propanamide (PubChem CID 109025637) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-[2-(3-methoxyphenyl)ethylamino]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-[2-(3-methoxyphenyl)ethylamino]-N-(3-methylbutyl)propanamide
PubChem CID109025637
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3-[2-(3-methoxyphenyl)ethylamino]-N-(3-methylbutyl)propanamide
SMILESCOc1cccc(CCNCCC(=O)NCCC(C)C)c1
InChIInChI=1S/C17H28N2O2/c1-14(2)7-12-19-17(20)9-11-18-10-8-15-5-4-6-16(13-15)21-3/h4-6,13-14,18H,7-12H2,1-3H3,(H,19,20)
InChIKeySDIQPRZKUGKUII-UHFFFAOYSA-N
XLogP2.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109055482
3-[2-(3-methoxyphenyl)ethylamino]-N-[(2-methylphenyl)methyl]propanamide
CID 109019095
N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropylamino)acetamide
CID 108993195
N-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(3-methoxyphenyl)ethylamino]propanamide
CID 109025643
N-[2-(3-methoxyphenyl)ethyl]-N'-(2-methylpropyl)propanediamide
CID 108941583
1-[2-(3-methoxyphenyl)ethyl]-2-methyl-3-(3-methylbutyl)guanidine
CID 110979499
N-(2,6-difluorophenyl)-3-[2-(3-methoxyphenyl)ethylamino]propanamide
CID 109025741
2-(3-methoxyphenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine
CID 107852103
4-[2-(3-methoxyphenyl)ethylamino]-4-oxobutanoic acid;hydrochloride
CID 170649983
N-[2-[2-(3-methoxyphenyl)ethylamino]ethyl]acetamide
CID 107852146
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
N-[2-(3-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 113266225

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methoxyphenyl)ethylamino]-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-[2-(3-methoxyphenyl)ethylamino]-N-(3-methylbutyl)propanamide (CID 109025637) is 3-[2-(3-methoxyphenyl)ethylamino]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3-[2-(3-methoxyphenyl)ethylamino]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-[2-(3-methoxyphenyl)ethylamino]-N-(3-methylbutyl)propanamide is COc1cccc(CCNCCC(=O)NCCC(C)C)c1.
What is the InChIKey of 3-[2-(3-methoxyphenyl)ethylamino]-N-(3-methylbutyl)propanamide?
The InChIKey is SDIQPRZKUGKUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-14(2)7-12-19-17(20)9-11-18-10-8-15-5-4-6-16(13-15)21-3/h4-6,13-14,18H,7-12H2,1-3H3,(H,19,20).
What are the key properties of 3-[2-(3-methoxyphenyl)ethylamino]-N-(3-methylbutyl)propanamide?
3-[2-(3-methoxyphenyl)ethylamino]-N-(3-methylbutyl)propanamide has a molecular weight of 292.42 g/mol, XLogP of 2.38, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methoxyphenyl)ethylamino]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 109025637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).