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

C13H21ClN2O2 — CID 119407044

IUPACN-(3-aminopropyl)-2-(4-methylphenoxy)propanamide;hydrochloride
SMILESCc1ccc(OC(C)C(=O)NCCCN)cc1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-10-4-6-12(7-5-10)17-11(2)13(16)15-9-3-8-14;/h4-7,11H,3,8-9,14H2,1-2H3,(H,15,16);1H
InChIKeyNLQNLFIITAQQIU-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.65
Rot. Bonds6

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

N-(3-aminopropyl)-2-(4-methylphenoxy)propanamide;hydrochloride (PubChem CID 119407044) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(4-methylphenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(4-methylphenoxy)propanamide;hydrochloride
PubChem CID119407044
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC NameN-(3-aminopropyl)-2-(4-methylphenoxy)propanamide;hydrochloride
SMILESCc1ccc(OC(C)C(=O)NCCCN)cc1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-10-4-6-12(7-5-10)17-11(2)13(16)15-9-3-8-14;/h4-7,11H,3,8-9,14H2,1-2H3,(H,15,16);1H
InChIKeyNLQNLFIITAQQIU-UHFFFAOYSA-N
XLogP1.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.65
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

4-[2-(4-methylphenoxy)propanoylamino]butanamide
CID 56812745
2-(4-methylphenoxy)-N-(2-methylpropyl)propanamide
CID 53282928
2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide
CID 4944309
2-(4-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4221032
2-(4-methylphenoxy)-N-[(E)-pent-3-enyl]propanamide
CID 115627833
4-chloro-N-[2-[2-(4-methylphenoxy)propanoylamino]ethyl]benzamide
CID 134039933
N-(3-aminopropyl)-2-(4-methylphenoxy)acetamide;hydrochloride
CID 119405354
2-(4-methylphenoxy)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 18114534
N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-methylphenoxy)propanamide
CID 133240246
2-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 6490042
(2R)-N-[(2S)-3-methylbutan-2-yl]-2-(4-methylphenoxy)propanamide
CID 94665564
2-[4-(4-methylphenyl)phenoxy]propanehydrazide
CID 63568542

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(4-methylphenoxy)propanamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-2-(4-methylphenoxy)propanamide;hydrochloride (CID 119407044) is N-(3-aminopropyl)-2-(4-methylphenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-2-(4-methylphenoxy)propanamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-2-(4-methylphenoxy)propanamide;hydrochloride is Cc1ccc(OC(C)C(=O)NCCCN)cc1.Cl.
What is the InChIKey of N-(3-aminopropyl)-2-(4-methylphenoxy)propanamide;hydrochloride?
The InChIKey is NLQNLFIITAQQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2.ClH/c1-10-4-6-12(7-5-10)17-11(2)13(16)15-9-3-8-14;/h4-7,11H,3,8-9,14H2,1-2H3,(H,15,16);1H.
What are the key properties of N-(3-aminopropyl)-2-(4-methylphenoxy)propanamide;hydrochloride?
N-(3-aminopropyl)-2-(4-methylphenoxy)propanamide;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 1.65, 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)propanamide;hydrochloride is sourced from PubChem (CID 119407044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).