N-(3-aminopropyl)-2-(4-methylphenoxy)acetamide;hydrochloride

C12H19ClN2O2 — CID 119405354

IUPACN-(3-aminopropyl)-2-(4-methylphenoxy)acetamide;hydrochloride
SMILESCc1ccc(OCC(=O)NCCCN)cc1.Cl
InChIInChI=1S/C12H18N2O2.ClH/c1-10-3-5-11(6-4-10)16-9-12(15)14-8-2-7-13;/h3-6H,2,7-9,13H2,1H3,(H,14,15);1H
InChIKeyRUVYXZSQRDMCIZ-UHFFFAOYSA-N
MW258.75 g/mol
LogP1.26
Rot. Bonds6

About N-(3-aminopropyl)-2-(4-methylphenoxy)acetamide;hydrochloride

N-(3-aminopropyl)-2-(4-methylphenoxy)acetamide;hydrochloride (PubChem CID 119405354) has the molecular formula C12H19ClN2O2 and a molecular weight of 258.75 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(4-methylphenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(4-methylphenoxy)acetamide;hydrochloride
PubChem CID119405354
Molecular FormulaC12H19ClN2O2
Molecular Weight258.75 g/mol
Exact Mass258.11
IUPAC NameN-(3-aminopropyl)-2-(4-methylphenoxy)acetamide;hydrochloride
SMILESCc1ccc(OCC(=O)NCCCN)cc1.Cl
InChIInChI=1S/C12H18N2O2.ClH/c1-10-3-5-11(6-4-10)16-9-12(15)14-8-2-7-13;/h3-6H,2,7-9,13H2,1H3,(H,14,15);1H
InChIKeyRUVYXZSQRDMCIZ-UHFFFAOYSA-N
XLogP1.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.26
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-(3-acetamidopropyl)-2-(4-methylphenoxy)acetamide
CID 110292109
N-[3-(4-methoxyphenyl)propyl]-2-(4-methylphenoxy)acetamide
CID 93165804
N-(3-methoxypropyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 112991225
N-[2-(4-aminophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 39384693
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632440
N-(3-aminopropyl)-2-(3-methyl-5-propan-2-ylphenoxy)acetamide
CID 110834191
N-(2-aminoethyl)-2-(4-iodophenoxy)acetamide;hydrochloride
CID 119384507
N-(2-aminoethyl)-2-(4-bromophenoxy)acetamide;hydrochloride
CID 119382433
N-(3-aminopropyl)-2-(4-methylphenoxy)propanamide;hydrochloride
CID 119407044
N-(2-aminoethyl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride
CID 119384409
N-(2-azidoethyl)-2-(4-methylphenoxy)acetamide
CID 95936669
N-(2-aminoethyl)-2-(4-pentoxyphenoxy)acetamide
CID 102457395

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(4-methylphenoxy)acetamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-2-(4-methylphenoxy)acetamide;hydrochloride (CID 119405354) is N-(3-aminopropyl)-2-(4-methylphenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-2-(4-methylphenoxy)acetamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-2-(4-methylphenoxy)acetamide;hydrochloride is Cc1ccc(OCC(=O)NCCCN)cc1.Cl.
What is the InChIKey of N-(3-aminopropyl)-2-(4-methylphenoxy)acetamide;hydrochloride?
The InChIKey is RUVYXZSQRDMCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2.ClH/c1-10-3-5-11(6-4-10)16-9-12(15)14-8-2-7-13;/h3-6H,2,7-9,13H2,1H3,(H,14,15);1H.
What are the key properties of N-(3-aminopropyl)-2-(4-methylphenoxy)acetamide;hydrochloride?
N-(3-aminopropyl)-2-(4-methylphenoxy)acetamide;hydrochloride has a molecular weight of 258.75 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(4-methylphenoxy)acetamide;hydrochloride is sourced from PubChem (CID 119405354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).