3-amino-N-[(2-ethoxyphenyl)methyl]butanamide;hydrochloride

C13H21ClN2O2 — CID 119705310

IUPAC3-amino-N-[(2-ethoxyphenyl)methyl]butanamide;hydrochloride
SMILESCCOc1ccccc1CNC(=O)CC(C)N.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-3-17-12-7-5-4-6-11(12)9-15-13(16)8-10(2)14;/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16);1H
InChIKeyFGARLEQUYJMQDI-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.86
Rot. Bonds6

About 3-amino-N-[(2-ethoxyphenyl)methyl]butanamide;hydrochloride

3-amino-N-[(2-ethoxyphenyl)methyl]butanamide;hydrochloride (PubChem CID 119705310) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 3-amino-N-[(2-ethoxyphenyl)methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(2-ethoxyphenyl)methyl]butanamide;hydrochloride
PubChem CID119705310
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name3-amino-N-[(2-ethoxyphenyl)methyl]butanamide;hydrochloride
SMILESCCOc1ccccc1CNC(=O)CC(C)N.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-3-17-12-7-5-4-6-11(12)9-15-13(16)8-10(2)14;/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16);1H
InChIKeyFGARLEQUYJMQDI-UHFFFAOYSA-N
XLogP1.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(2-ethoxyphenyl)methyl]acetamide;hydrochloride
CID 119279613
3-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide;hydrochloride
CID 119777822
3-amino-N-[(2-ethoxyphenyl)methyl]propanamide
CID 82677450
3-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride
CID 119865260
3-amino-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride
CID 119679706
(3R)-N-[(2-ethoxyphenyl)methyl]-3-pyrazol-1-ylbutanamide
CID 92708095
1-[(2-ethoxyphenyl)methyl]-3-propan-2-ylurea
CID 47375969
3-amino-N-[(2-bromophenyl)methyl]butanamide
CID 61402410
N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 46778184
1-[(2-ethoxyphenyl)methyl]-3-(3-hydroxybutyl)urea
CID 111337271
4-[(2-ethoxyphenyl)methylamino]-2,2-dimethyl-4-oxobutanoic acid
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N-[(2-ethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 38009470

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-ethoxyphenyl)methyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[(2-ethoxyphenyl)methyl]butanamide;hydrochloride (CID 119705310) is 3-amino-N-[(2-ethoxyphenyl)methyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(2-ethoxyphenyl)methyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(2-ethoxyphenyl)methyl]butanamide;hydrochloride is CCOc1ccccc1CNC(=O)CC(C)N.Cl.
What is the InChIKey of 3-amino-N-[(2-ethoxyphenyl)methyl]butanamide;hydrochloride?
The InChIKey is FGARLEQUYJMQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2.ClH/c1-3-17-12-7-5-4-6-11(12)9-15-13(16)8-10(2)14;/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16);1H.
What are the key properties of 3-amino-N-[(2-ethoxyphenyl)methyl]butanamide;hydrochloride?
3-amino-N-[(2-ethoxyphenyl)methyl]butanamide;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-ethoxyphenyl)methyl]butanamide;hydrochloride is sourced from PubChem (CID 119705310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).