2-amino-N-[(2-ethoxyphenyl)methyl]-4-methoxy-N-methylbutanamide

C15H24N2O3 — CID 62474844

IUPAC2-amino-N-[(2-ethoxyphenyl)methyl]-4-methoxy-N-methylbutanamide
SMILESCCOc1ccccc1CN(C)C(=O)C(N)CCOC
InChIInChI=1S/C15H24N2O3/c1-4-20-14-8-6-5-7-12(14)11-17(2)15(18)13(16)9-10-19-3/h5-8,13H,4,9-11,16H2,1-3H3
InChIKeyYMWACPKQPXFXEE-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.41
Rot. Bonds8

About 2-amino-N-[(2-ethoxyphenyl)methyl]-4-methoxy-N-methylbutanamide

2-amino-N-[(2-ethoxyphenyl)methyl]-4-methoxy-N-methylbutanamide (PubChem CID 62474844) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-amino-N-[(2-ethoxyphenyl)methyl]-4-methoxy-N-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(2-ethoxyphenyl)methyl]-4-methoxy-N-methylbutanamide
PubChem CID62474844
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-amino-N-[(2-ethoxyphenyl)methyl]-4-methoxy-N-methylbutanamide
SMILESCCOc1ccccc1CN(C)C(=O)C(N)CCOC
InChIInChI=1S/C15H24N2O3/c1-4-20-14-8-6-5-7-12(14)11-17(2)15(18)13(16)9-10-19-3/h5-8,13H,4,9-11,16H2,1-3H3
InChIKeyYMWACPKQPXFXEE-UHFFFAOYSA-N
XLogP1.41
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methylpentanamide
CID 81071354
2-amino-N-[(2-ethoxyphenyl)methyl]-N-methylbutanediamide
CID 60962465
2-amino-N-[(2-ethoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 54873662
(2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylpentanamide;hydrochloride
CID 119681273
2-bromo-N-[(2-ethoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 54876015
2-amino-4-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]butanamide
CID 62477479
2-amino-N-[(2,4-dimethylphenyl)methyl]-4-methoxy-N-methylbutanamide
CID 62473589
2-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 63678589
2-amino-N-[(2-fluorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride
CID 120983321
N-[(2-ethoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 54873676
2-[(2-ethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 39366056
N-[(2-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79200511

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-ethoxyphenyl)methyl]-4-methoxy-N-methylbutanamide?
The IUPAC name of 2-amino-N-[(2-ethoxyphenyl)methyl]-4-methoxy-N-methylbutanamide (CID 62474844) is 2-amino-N-[(2-ethoxyphenyl)methyl]-4-methoxy-N-methylbutanamide.
What is the SMILES notation for 2-amino-N-[(2-ethoxyphenyl)methyl]-4-methoxy-N-methylbutanamide?
The canonical SMILES for 2-amino-N-[(2-ethoxyphenyl)methyl]-4-methoxy-N-methylbutanamide is CCOc1ccccc1CN(C)C(=O)C(N)CCOC.
What is the InChIKey of 2-amino-N-[(2-ethoxyphenyl)methyl]-4-methoxy-N-methylbutanamide?
The InChIKey is YMWACPKQPXFXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-20-14-8-6-5-7-12(14)11-17(2)15(18)13(16)9-10-19-3/h5-8,13H,4,9-11,16H2,1-3H3.
What are the key properties of 2-amino-N-[(2-ethoxyphenyl)methyl]-4-methoxy-N-methylbutanamide?
2-amino-N-[(2-ethoxyphenyl)methyl]-4-methoxy-N-methylbutanamide has a molecular weight of 280.37 g/mol, XLogP of 1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-ethoxyphenyl)methyl]-4-methoxy-N-methylbutanamide is sourced from PubChem (CID 62474844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).