3-(2-aminophenyl)-N-(3-phenoxypropyl)propanamide;hydrochloride

C18H23ClN2O2 — CID 120608352

IUPAC3-(2-aminophenyl)-N-(3-phenoxypropyl)propanamide;hydrochloride
SMILESCl.Nc1ccccc1CCC(=O)NCCCOc1ccccc1
InChIInChI=1S/C18H22N2O2.ClH/c19-17-10-5-4-7-15(17)11-12-18(21)20-13-6-14-22-16-8-2-1-3-9-16;/h1-5,7-10H,6,11-14,19H2,(H,20,21);1H
InChIKeyCDILNULTYGVARG-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.21
Rot. Bonds8

About 3-(2-aminophenyl)-N-(3-phenoxypropyl)propanamide;hydrochloride

3-(2-aminophenyl)-N-(3-phenoxypropyl)propanamide;hydrochloride (PubChem CID 120608352) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(3-phenoxypropyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(3-phenoxypropyl)propanamide;hydrochloride
PubChem CID120608352
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name3-(2-aminophenyl)-N-(3-phenoxypropyl)propanamide;hydrochloride
SMILESCl.Nc1ccccc1CCC(=O)NCCCOc1ccccc1
InChIInChI=1S/C18H22N2O2.ClH/c19-17-10-5-4-7-15(17)11-12-18(21)20-13-6-14-22-16-8-2-1-3-9-16;/h1-5,7-10H,6,11-14,19H2,(H,20,21);1H
InChIKeyCDILNULTYGVARG-UHFFFAOYSA-N
XLogP3.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 28713819
3-(2-aminophenyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]propanamide;hydrochloride
CID 120611913
3-(2-aminophenyl)-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 120608235
3-(2-aminophenyl)-N-(3-propan-2-yloxypropyl)propanamide
CID 107272988
N-(3-acetamidopropyl)-3-(2-aminophenyl)propanamide;hydrochloride
CID 120609121
3-(2-aminophenyl)-N-(4-ethoxybutyl)propanamide;hydrochloride
CID 120609020
3-(2-aminophenyl)-N-[3-(1-phenylethoxy)propyl]propanamide
CID 120608327
3-(2-aminophenyl)-N-(5-phenylpentyl)propanamide
CID 120610401
3-(2-aminophenyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide;hydrochloride
CID 120610734
N-(2-acetamidoethyl)-3-(2-aminophenyl)propanamide;hydrochloride
CID 120608123
3-(2-aminophenyl)-N-[3-(2-phenoxyethoxy)phenyl]propanamide
CID 54795447
3-(2-aminophenyl)-N-[2-(carbamoylamino)ethyl]propanamide
CID 83114772

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(3-phenoxypropyl)propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-(3-phenoxypropyl)propanamide;hydrochloride (CID 120608352) is 3-(2-aminophenyl)-N-(3-phenoxypropyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-(3-phenoxypropyl)propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-(3-phenoxypropyl)propanamide;hydrochloride is Cl.Nc1ccccc1CCC(=O)NCCCOc1ccccc1.
What is the InChIKey of 3-(2-aminophenyl)-N-(3-phenoxypropyl)propanamide;hydrochloride?
The InChIKey is CDILNULTYGVARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c19-17-10-5-4-7-15(17)11-12-18(21)20-13-6-14-22-16-8-2-1-3-9-16;/h1-5,7-10H,6,11-14,19H2,(H,20,21);1H.
What are the key properties of 3-(2-aminophenyl)-N-(3-phenoxypropyl)propanamide;hydrochloride?
3-(2-aminophenyl)-N-(3-phenoxypropyl)propanamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(3-phenoxypropyl)propanamide;hydrochloride is sourced from PubChem (CID 120608352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).