2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]propanamide;hydrochloride

C15H25ClN2O3 — CID 119284589

IUPAC2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]propanamide;hydrochloride
SMILESCCCCOc1ccc(CNC(=O)C(C)N)cc1OC.Cl
InChIInChI=1S/C15H24N2O3.ClH/c1-4-5-8-20-13-7-6-12(9-14(13)19-3)10-17-15(18)11(2)16;/h6-7,9,11H,4-5,8,10,16H2,1-3H3,(H,17,18);1H
InChIKeyIBJKYBKYRXSSFX-UHFFFAOYSA-N
MW316.83 g/mol
LogP2.26
Rot. Bonds8

About 2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]propanamide;hydrochloride

2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]propanamide;hydrochloride (PubChem CID 119284589) has the molecular formula C15H25ClN2O3 and a molecular weight of 316.83 g/mol. Its IUPAC name is 2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]propanamide;hydrochloride
PubChem CID119284589
Molecular FormulaC15H25ClN2O3
Molecular Weight316.83 g/mol
Exact Mass316.16
IUPAC Name2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]propanamide;hydrochloride
SMILESCCCCOc1ccc(CNC(=O)C(C)N)cc1OC.Cl
InChIInChI=1S/C15H24N2O3.ClH/c1-4-5-8-20-13-7-6-12(9-14(13)19-3)10-17-15(18)11(2)16;/h6-7,9,11H,4-5,8,10,16H2,1-3H3,(H,17,18);1H
InChIKeyIBJKYBKYRXSSFX-UHFFFAOYSA-N
XLogP2.26
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-4-methylpentanamide
CID 119714660
2-bromo-N-[(4-butoxy-3-methoxyphenyl)methyl]acetamide
CID 112547109
(2S)-2-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]propanamide
CID 119296501
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 39971234
2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-2-phenylpropanamide;hydrochloride
CID 120588375
2-[(3-methoxy-4-propoxyphenyl)methylamino]propanoic acid;hydrochloride
CID 163331555
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 39971450
N-[(4-butoxy-3-methoxyphenyl)methyl]-2,4-dimethoxybenzamide
CID 39971385
N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]hexanamide
CID 19904835
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2,4-dimethoxyphenyl)acetamide
CID 39971219
2-amino-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119272316
(2S)-2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]propanamide;hydrochloride
CID 119276428

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]propanamide;hydrochloride (CID 119284589) is 2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]propanamide;hydrochloride is CCCCOc1ccc(CNC(=O)C(C)N)cc1OC.Cl.
What is the InChIKey of 2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]propanamide;hydrochloride?
The InChIKey is IBJKYBKYRXSSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3.ClH/c1-4-5-8-20-13-7-6-12(9-14(13)19-3)10-17-15(18)11(2)16;/h6-7,9,11H,4-5,8,10,16H2,1-3H3,(H,17,18);1H.
What are the key properties of 2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]propanamide;hydrochloride?
2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]propanamide;hydrochloride has a molecular weight of 316.83 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 119284589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).