3-(2-aminophenyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]propanamide;hydrochloride

C19H25ClN2O4 — CID 120611913

IUPAC3-(2-aminophenyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]propanamide;hydrochloride
SMILESCOc1cc(OC)cc(OCCNC(=O)CCc2ccccc2N)c1.Cl
InChIInChI=1S/C19H24N2O4.ClH/c1-23-15-11-16(24-2)13-17(12-15)25-10-9-21-19(22)8-7-14-5-3-4-6-18(14)20;/h3-6,11-13H,7-10,20H2,1-2H3,(H,21,22);1H
InChIKeyZYDQSNUVVOTVDQ-UHFFFAOYSA-N
MW380.87 g/mol
LogP2.84
Rot. Bonds9

About 3-(2-aminophenyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]propanamide;hydrochloride

3-(2-aminophenyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]propanamide;hydrochloride (PubChem CID 120611913) has the molecular formula C19H25ClN2O4 and a molecular weight of 380.87 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]propanamide;hydrochloride
PubChem CID120611913
Molecular FormulaC19H25ClN2O4
Molecular Weight380.87 g/mol
Exact Mass380.15
IUPAC Name3-(2-aminophenyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]propanamide;hydrochloride
SMILESCOc1cc(OC)cc(OCCNC(=O)CCc2ccccc2N)c1.Cl
InChIInChI=1S/C19H24N2O4.ClH/c1-23-15-11-16(24-2)13-17(12-15)25-10-9-21-19(22)8-7-14-5-3-4-6-18(14)20;/h3-6,11-13H,7-10,20H2,1-2H3,(H,21,22);1H
InChIKeyZYDQSNUVVOTVDQ-UHFFFAOYSA-N
XLogP2.84
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.87
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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3-(2-aminophenyl)-N-[2-(3-methylphenoxy)ethyl]propanamide
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3-(2-bromophenyl)-N-[2-(3-methoxyphenoxy)ethyl]propanamide
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3-(2-aminophenyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide;hydrochloride
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3-(3,5-dimethoxyphenyl)-N-(2-phenoxyethyl)propanamide
CID 18111151
3-(2-aminophenyl)-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpropanamide
CID 120611859
N-(2-acetamidoethyl)-3-(2-aminophenyl)propanamide;hydrochloride
CID 120608123
N-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)propanamide
CID 51157212
3-(2-aminophenyl)-N-(3-propan-2-yloxypropyl)propanamide
CID 107272988
3-(2-aminophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide
CID 120613513
3-(2-aminophenyl)-N-(4-ethoxybutyl)propanamide;hydrochloride
CID 120609020

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]propanamide;hydrochloride (CID 120611913) is 3-(2-aminophenyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]propanamide;hydrochloride is COc1cc(OC)cc(OCCNC(=O)CCc2ccccc2N)c1.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]propanamide;hydrochloride?
The InChIKey is ZYDQSNUVVOTVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4.ClH/c1-23-15-11-16(24-2)13-17(12-15)25-10-9-21-19(22)8-7-14-5-3-4-6-18(14)20;/h3-6,11-13H,7-10,20H2,1-2H3,(H,21,22);1H.
What are the key properties of 3-(2-aminophenyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]propanamide;hydrochloride?
3-(2-aminophenyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]propanamide;hydrochloride has a molecular weight of 380.87 g/mol, XLogP of 2.84, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 120611913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).