N-(3-aminopropyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide;hydrochloride

C19H25ClN2O2 — CID 119405187

IUPACN-(3-aminopropyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide;hydrochloride
SMILESCc1ccccc1COc1cccc(CC(=O)NCCCN)c1.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-15-6-2-3-8-17(15)14-23-18-9-4-7-16(12-18)13-19(22)21-11-5-10-20;/h2-4,6-9,12H,5,10-11,13-14,20H2,1H3,(H,21,22);1H
InChIKeyUYPKWQLLJUAQBO-UHFFFAOYSA-N
MW348.87 g/mol
LogP3.00
Rot. Bonds8

About N-(3-aminopropyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide;hydrochloride

N-(3-aminopropyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide;hydrochloride (PubChem CID 119405187) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide;hydrochloride
PubChem CID119405187
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC NameN-(3-aminopropyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide;hydrochloride
SMILESCc1ccccc1COc1cccc(CC(=O)NCCCN)c1.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-15-6-2-3-8-17(15)14-23-18-9-4-7-16(12-18)13-19(22)21-11-5-10-20;/h2-4,6-9,12H,5,10-11,13-14,20H2,1H3,(H,21,22);1H
InChIKeyUYPKWQLLJUAQBO-UHFFFAOYSA-N
XLogP3.00
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 53.00
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

N-(2-aminoethyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide
CID 119382324
N-(3-hydroxybutyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide
CID 111433717
2-[3-[(2-methylphenyl)methoxy]phenyl]-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119390993
N-(3-aminopropyl)-2-[3-[(3-chlorophenyl)methoxy]phenyl]acetamide
CID 119405733
N-(3-aminopropyl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119405627
2-[3-[(2,6-dimethylphenyl)methoxy]phenyl]-N-(2-hydroxyethyl)acetamide
CID 15949136
4-methoxy-2-[[2-[3-[(2-methylphenyl)methoxy]phenyl]acetyl]amino]butanoic acid
CID 120703020
N-(4-aminobutyl)-2-(2-methylphenyl)acetamide
CID 60893782
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-[3-[(2-methylphenyl)methoxy]phenyl]ethanone;hydrochloride
CID 119661818
N-(2-hydroxyethyl)-2-[4-[(2-methylphenyl)methoxy]phenyl]acetamide
CID 111112371
N-methyl-1-[3-[(2-methylphenyl)methoxy]phenyl]methanamine
CID 19744687
1-[4-(methylamino)piperidin-1-yl]-2-[3-[(2-methylphenyl)methoxy]phenyl]ethanone;hydrochloride
CID 119560104

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide;hydrochloride (CID 119405187) is N-(3-aminopropyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide;hydrochloride is Cc1ccccc1COc1cccc(CC(=O)NCCCN)c1.Cl.
What is the InChIKey of N-(3-aminopropyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide;hydrochloride?
The InChIKey is UYPKWQLLJUAQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2.ClH/c1-15-6-2-3-8-17(15)14-23-18-9-4-7-16(12-18)13-19(22)21-11-5-10-20;/h2-4,6-9,12H,5,10-11,13-14,20H2,1H3,(H,21,22);1H.
What are the key properties of N-(3-aminopropyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide;hydrochloride?
N-(3-aminopropyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide;hydrochloride has a molecular weight of 348.87 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119405187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).