2-amino-N-[(2-ethoxyphenyl)methyl]-N,3-dimethylbutanamide

C15H24N2O2 — CID 54873662

IUPAC2-amino-N-[(2-ethoxyphenyl)methyl]-N,3-dimethylbutanamide
SMILESCCOc1ccccc1CN(C)C(=O)C(N)C(C)C
InChIInChI=1S/C15H24N2O2/c1-5-19-13-9-7-6-8-12(13)10-17(4)15(18)14(16)11(2)3/h6-9,11,14H,5,10,16H2,1-4H3
InChIKeyZERVZSIMBPHFNT-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.03
Rot. Bonds6

About 2-amino-N-[(2-ethoxyphenyl)methyl]-N,3-dimethylbutanamide

2-amino-N-[(2-ethoxyphenyl)methyl]-N,3-dimethylbutanamide (PubChem CID 54873662) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-amino-N-[(2-ethoxyphenyl)methyl]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(2-ethoxyphenyl)methyl]-N,3-dimethylbutanamide
PubChem CID54873662
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-amino-N-[(2-ethoxyphenyl)methyl]-N,3-dimethylbutanamide
SMILESCCOc1ccccc1CN(C)C(=O)C(N)C(C)C
InChIInChI=1S/C15H24N2O2/c1-5-19-13-9-7-6-8-12(13)10-17(4)15(18)14(16)11(2)3/h6-9,11,14H,5,10,16H2,1-4H3
InChIKeyZERVZSIMBPHFNT-UHFFFAOYSA-N
XLogP2.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[(2-ethoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 54876015
2-amino-N-[(2-ethoxyphenyl)methyl]-N-methylbutanediamide
CID 60962465
2-amino-N-[(2-ethoxyphenyl)methyl]-4-methoxy-N-methylbutanamide
CID 62474844
2-amino-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methylpentanamide
CID 81071354
(2R)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide
CID 79011463
2-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 63678589
2-amino-N-[(2-ethoxyphenyl)methyl]-N-methyl-2-phenylpropanamide;hydrochloride
CID 120589610
(2S)-2-[(2-ethoxyphenyl)methyl-methylamino]propanoic acid
CID 92930759
N-[(2-ethoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 54873676
(2S,3S)-2-amino-N-[(2-hydroxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61164001
(2S,3S)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]pentanamide
CID 61154727
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]-N,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-[(2-ethoxyphenyl)methyl]-N,3-dimethylbutanamide (CID 54873662) is 2-amino-N-[(2-ethoxyphenyl)methyl]-N,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-[(2-ethoxyphenyl)methyl]-N,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-[(2-ethoxyphenyl)methyl]-N,3-dimethylbutanamide is CCOc1ccccc1CN(C)C(=O)C(N)C(C)C.
What is the InChIKey of 2-amino-N-[(2-ethoxyphenyl)methyl]-N,3-dimethylbutanamide?
The InChIKey is ZERVZSIMBPHFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-19-13-9-7-6-8-12(13)10-17(4)15(18)14(16)11(2)3/h6-9,11,14H,5,10,16H2,1-4H3.
What are the key properties of 2-amino-N-[(2-ethoxyphenyl)methyl]-N,3-dimethylbutanamide?
2-amino-N-[(2-ethoxyphenyl)methyl]-N,3-dimethylbutanamide has a molecular weight of 264.37 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-ethoxyphenyl)methyl]-N,3-dimethylbutanamide is sourced from PubChem (CID 54873662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).