3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylpropanamide

C13H20N2O2 — CID 62671028

IUPAC3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylpropanamide
SMILESCCOc1cccc(CNC(=O)C(C)CN)c1
InChIInChI=1S/C13H20N2O2/c1-3-17-12-6-4-5-11(7-12)9-15-13(16)10(2)8-14/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16)
InChIKeyCHUDZEXPWKLCRC-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.30
Rot. Bonds6

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

3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylpropanamide (PubChem CID 62671028) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylpropanamide
PubChem CID62671028
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylpropanamide
SMILESCCOc1cccc(CNC(=O)C(C)CN)c1
InChIInChI=1S/C13H20N2O2/c1-3-17-12-6-4-5-11(7-12)9-15-13(16)10(2)8-14/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16)
InChIKeyCHUDZEXPWKLCRC-UHFFFAOYSA-N
XLogP1.30
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-[(3-ethoxyphenyl)methyl]butanamide
CID 65230237
2-amino-N-[(3-ethoxyphenyl)methyl]pentanamide
CID 60872985
4-[(3-ethoxyphenyl)methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496650
(2R)-N-[(3-ethoxyphenyl)methyl]-2-phenoxypropanamide
CID 94184628
(2S)-N-[(3-ethoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 92675328
3-[[(3-amino-2-methylpropanoyl)amino]methyl]benzamide
CID 62669665
N-[(3-ethoxyphenyl)methyl]-2-(2-ethylphenoxy)propanamide
CID 46770916
(2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)propanamide
CID 28567347
3-amino-N-[(3-ethoxyphenyl)methyl]-2,2-dimethylpropanamide
CID 81489935
N-[(3-ethoxyphenyl)methyl]but-2-enamide
CID 112728923
2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]pentanamide
CID 119304653
(2S)-2-(2,3-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]propanamide
CID 99131504

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylpropanamide?
The IUPAC name of 3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylpropanamide (CID 62671028) is 3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylpropanamide?
The canonical SMILES for 3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylpropanamide is CCOc1cccc(CNC(=O)C(C)CN)c1.
What is the InChIKey of 3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylpropanamide?
The InChIKey is CHUDZEXPWKLCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-17-12-6-4-5-11(7-12)9-15-13(16)10(2)8-14/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylpropanamide?
3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylpropanamide has a molecular weight of 236.31 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 62671028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).