3-amino-N-methyl-N-(3-phenoxypropyl)propanamide;hydrochloride

C13H21ClN2O2 — CID 119294025

IUPAC3-amino-N-methyl-N-(3-phenoxypropyl)propanamide;hydrochloride
SMILESCN(CCCOc1ccccc1)C(=O)CCN.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-15(13(16)8-9-14)10-5-11-17-12-6-3-2-4-7-12;/h2-4,6-7H,5,8-11,14H2,1H3;1H
InChIKeyFHFNHKKBTXVREH-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.68
Rot. Bonds7

About 3-amino-N-methyl-N-(3-phenoxypropyl)propanamide;hydrochloride

3-amino-N-methyl-N-(3-phenoxypropyl)propanamide;hydrochloride (PubChem CID 119294025) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(3-phenoxypropyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-methyl-N-(3-phenoxypropyl)propanamide;hydrochloride
PubChem CID119294025
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name3-amino-N-methyl-N-(3-phenoxypropyl)propanamide;hydrochloride
SMILESCN(CCCOc1ccccc1)C(=O)CCN.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-15(13(16)8-9-14)10-5-11-17-12-6-3-2-4-7-12;/h2-4,6-7H,5,8-11,14H2,1H3;1H
InChIKeyFHFNHKKBTXVREH-UHFFFAOYSA-N
XLogP1.68
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.68
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

N-(5-aminopentyl)-N-methyl-3-phenoxypropanamide
CID 107206604
3-chloro-N-methyl-N-(3-phenoxypropyl)propanamide
CID 54874962
3-amino-N-[3-(3-chlorophenoxy)propyl]-N-methylpropanamide;hydrochloride
CID 119298305
3-(2-aminophenyl)-N-methyl-N-(3-phenoxypropyl)propanamide
CID 120609279
2-amino-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]acetamide
CID 60944728
N-methyl-N-(3-phenoxypropyl)acetamide
CID 60757278
3-(aminomethyl)-N-methyl-N-(3-phenoxypropyl)pentanamide
CID 81087362
N-methyl-N-(3-phenoxypropyl)-3-pyridin-4-ylpropanamide
CID 60508904
5-hydroxy-N-methyl-N-(2-phenoxyethyl)pentanamide
CID 79199692
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide;hydrochloride
CID 119274543
N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(3-phenoxypropyl)acetamide
CID 115949786
N-(3-aminopropyl)-3-(4-ethylphenoxy)-N-methylpropanamide
CID 43254052

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(3-phenoxypropyl)propanamide;hydrochloride?
The IUPAC name of 3-amino-N-methyl-N-(3-phenoxypropyl)propanamide;hydrochloride (CID 119294025) is 3-amino-N-methyl-N-(3-phenoxypropyl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-methyl-N-(3-phenoxypropyl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-methyl-N-(3-phenoxypropyl)propanamide;hydrochloride is CN(CCCOc1ccccc1)C(=O)CCN.Cl.
What is the InChIKey of 3-amino-N-methyl-N-(3-phenoxypropyl)propanamide;hydrochloride?
The InChIKey is FHFNHKKBTXVREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2.ClH/c1-15(13(16)8-9-14)10-5-11-17-12-6-3-2-4-7-12;/h2-4,6-7H,5,8-11,14H2,1H3;1H.
What are the key properties of 3-amino-N-methyl-N-(3-phenoxypropyl)propanamide;hydrochloride?
3-amino-N-methyl-N-(3-phenoxypropyl)propanamide;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(3-phenoxypropyl)propanamide;hydrochloride is sourced from PubChem (CID 119294025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).