2-amino-N-(3-methoxypropyl)-N-methyl-2-phenylpropanamide;hydrochloride

C14H23ClN2O2 — CID 120590580

IUPAC2-amino-N-(3-methoxypropyl)-N-methyl-2-phenylpropanamide;hydrochloride
SMILESCOCCCN(C)C(=O)C(C)(N)c1ccccc1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-14(15,12-8-5-4-6-9-12)13(17)16(2)10-7-11-18-3;/h4-6,8-9H,7,10-11,15H2,1-3H3;1H
InChIKeyJPQXQWLGEHEBTH-UHFFFAOYSA-N
MW286.80 g/mol
LogP1.78
Rot. Bonds6

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

2-amino-N-(3-methoxypropyl)-N-methyl-2-phenylpropanamide;hydrochloride (PubChem CID 120590580) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 2-amino-N-(3-methoxypropyl)-N-methyl-2-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(3-methoxypropyl)-N-methyl-2-phenylpropanamide;hydrochloride
PubChem CID120590580
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name2-amino-N-(3-methoxypropyl)-N-methyl-2-phenylpropanamide;hydrochloride
SMILESCOCCCN(C)C(=O)C(C)(N)c1ccccc1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-14(15,12-8-5-4-6-9-12)13(17)16(2)10-7-11-18-3;/h4-6,8-9H,7,10-11,15H2,1-3H3;1H
InChIKeyJPQXQWLGEHEBTH-UHFFFAOYSA-N
XLogP1.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-hydroxyethyl)-N-methyl-2-phenylpropanamide
CID 62487713
2-amino-N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-phenylpropanamide;hydrochloride
CID 120589650
2-amino-N-[2-(4-bromophenyl)ethyl]-N-methyl-2-phenylpropanamide
CID 120591489
2-amino-N-methyl-2-phenyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]propanamide;hydrochloride
CID 120589459
2-amino-N-[(2-ethoxyphenyl)methyl]-N-methyl-2-phenylpropanamide;hydrochloride
CID 120589610
2-amino-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;dihydrochloride
CID 120597643
2-[(2-amino-2-phenylpropanoyl)-(carboxymethyl)amino]acetic acid
CID 63645589
2-amino-N-methyl-2-phenyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 120594434
2-amino-N-[2-(2-methoxyethoxy)ethyl]-2-phenylpropanamide
CID 55078489
2-amino-N-methyl-2-phenyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
CID 120587851
2-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpropanamide
CID 64519424
methyl (2R)-2-amino-2-phenylpropanoate;hydrochloride
CID 141027321

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methoxypropyl)-N-methyl-2-phenylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-(3-methoxypropyl)-N-methyl-2-phenylpropanamide;hydrochloride (CID 120590580) is 2-amino-N-(3-methoxypropyl)-N-methyl-2-phenylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(3-methoxypropyl)-N-methyl-2-phenylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(3-methoxypropyl)-N-methyl-2-phenylpropanamide;hydrochloride is COCCCN(C)C(=O)C(C)(N)c1ccccc1.Cl.
What is the InChIKey of 2-amino-N-(3-methoxypropyl)-N-methyl-2-phenylpropanamide;hydrochloride?
The InChIKey is JPQXQWLGEHEBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.ClH/c1-14(15,12-8-5-4-6-9-12)13(17)16(2)10-7-11-18-3;/h4-6,8-9H,7,10-11,15H2,1-3H3;1H.
What are the key properties of 2-amino-N-(3-methoxypropyl)-N-methyl-2-phenylpropanamide;hydrochloride?
2-amino-N-(3-methoxypropyl)-N-methyl-2-phenylpropanamide;hydrochloride has a molecular weight of 286.80 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-methoxypropyl)-N-methyl-2-phenylpropanamide;hydrochloride is sourced from PubChem (CID 120590580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).