3-amino-N-(4-methoxybutyl)-2-methyl-3-phenylpropanamide;hydrochloride

C15H25ClN2O2 — CID 119722375

IUPAC3-amino-N-(4-methoxybutyl)-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCOCCCCNC(=O)C(C)C(N)c1ccccc1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-12(14(16)13-8-4-3-5-9-13)15(18)17-10-6-7-11-19-2;/h3-5,8-9,12,14H,6-7,10-11,16H2,1-2H3,(H,17,18);1H
InChIKeyZIMMFLOTPGMQHP-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.29
Rot. Bonds8

About 3-amino-N-(4-methoxybutyl)-2-methyl-3-phenylpropanamide;hydrochloride

3-amino-N-(4-methoxybutyl)-2-methyl-3-phenylpropanamide;hydrochloride (PubChem CID 119722375) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 3-amino-N-(4-methoxybutyl)-2-methyl-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(4-methoxybutyl)-2-methyl-3-phenylpropanamide;hydrochloride
PubChem CID119722375
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name3-amino-N-(4-methoxybutyl)-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCOCCCCNC(=O)C(C)C(N)c1ccccc1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-12(14(16)13-8-4-3-5-9-13)15(18)17-10-6-7-11-19-2;/h3-5,8-9,12,14H,6-7,10-11,16H2,1-2H3,(H,17,18);1H
InChIKeyZIMMFLOTPGMQHP-UHFFFAOYSA-N
XLogP2.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methyl-3-phenylpropanamide
CID 119855410
methyl 6-[(3-amino-2-methyl-3-phenylpropanoyl)amino]hexanoate
CID 119686216
3-amino-N-(5-hydroxypentyl)-2-methyl-3-phenylpropanamide
CID 107317767
N-(3-acetamidopropyl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride
CID 119725929
3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-methyl-3-phenylpropanamide
CID 115738057
3-amino-2-methyl-N-[3-(2-methylpropoxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119693609
2-amino-N-(3-methoxypropyl)-2-phenylacetamide;hydrochloride
CID 119262550
4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]butanoic acid
CID 80552213
3-amino-N-(3-butoxypropyl)-2-methyl-3-phenylpropanamide
CID 115737917
3-amino-N-(4-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119765561
3-amino-N-(5,5-dimethylhexyl)-2-methyl-3-phenylpropanamide
CID 119775743
3-amino-2-methyl-N-[3-(2-methylphenoxy)propyl]-3-phenylpropanamide
CID 119772263

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-methoxybutyl)-2-methyl-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-(4-methoxybutyl)-2-methyl-3-phenylpropanamide;hydrochloride (CID 119722375) is 3-amino-N-(4-methoxybutyl)-2-methyl-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(4-methoxybutyl)-2-methyl-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(4-methoxybutyl)-2-methyl-3-phenylpropanamide;hydrochloride is COCCCCNC(=O)C(C)C(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-(4-methoxybutyl)-2-methyl-3-phenylpropanamide;hydrochloride?
The InChIKey is ZIMMFLOTPGMQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-12(14(16)13-8-4-3-5-9-13)15(18)17-10-6-7-11-19-2;/h3-5,8-9,12,14H,6-7,10-11,16H2,1-2H3,(H,17,18);1H.
What are the key properties of 3-amino-N-(4-methoxybutyl)-2-methyl-3-phenylpropanamide;hydrochloride?
3-amino-N-(4-methoxybutyl)-2-methyl-3-phenylpropanamide;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-methoxybutyl)-2-methyl-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119722375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).