3-(2-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)propanamide;hydrochloride

C20H27ClN2O3 — CID 120608796

IUPAC3-(2-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)propanamide;hydrochloride
SMILESCCCCOc1ccc(OC)cc1NC(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C20H26N2O3.ClH/c1-3-4-13-25-19-11-10-16(24-2)14-18(19)22-20(23)12-9-15-7-5-6-8-17(15)21;/h5-8,10-11,14H,3-4,9,12-13,21H2,1-2H3,(H,22,23);1H
InChIKeyFIUUCLFNGYYLKS-UHFFFAOYSA-N
MW378.90 g/mol
LogP4.45
Rot. Bonds9

About 3-(2-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)propanamide;hydrochloride

3-(2-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)propanamide;hydrochloride (PubChem CID 120608796) has the molecular formula C20H27ClN2O3 and a molecular weight of 378.90 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)propanamide;hydrochloride
PubChem CID120608796
Molecular FormulaC20H27ClN2O3
Molecular Weight378.90 g/mol
Exact Mass378.17
IUPAC Name3-(2-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)propanamide;hydrochloride
SMILESCCCCOc1ccc(OC)cc1NC(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C20H26N2O3.ClH/c1-3-4-13-25-19-11-10-16(24-2)14-18(19)22-20(23)12-9-15-7-5-6-8-17(15)21;/h5-8,10-11,14H,3-4,9,12-13,21H2,1-2H3,(H,22,23);1H
InChIKeyFIUUCLFNGYYLKS-UHFFFAOYSA-N
XLogP4.45
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-butoxyphenyl)propanamide;hydrochloride
CID 120608637
3-(2-aminophenyl)-N-(4-butoxy-2-methylphenyl)propanamide
CID 120609491
2-(4-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)acetamide;hydrochloride
CID 119715038
2-(4-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)acetamide
CID 119715039
3-(2-aminophenyl)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride
CID 120610429
3-(2-aminophenyl)-N-(4-heptoxyphenyl)propanamide
CID 54795522
N-(2-butoxyphenyl)-3-(4-methoxyphenyl)propanamide
CID 19221044
3-amino-N-(2-ethoxy-5-methoxyphenyl)propanamide
CID 119318009
3-amino-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride
CID 119715062
N-(2,5-diethoxyphenyl)-3-(2-ethoxyphenyl)propanamide
CID 33002086
3-(2-bromo-4,5-dimethoxyphenyl)-N-(2-butoxyphenyl)propanamide
CID 2071400
N-(2,5-dimethoxyphenyl)hexadecanamide
CID 20789890

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)propanamide;hydrochloride (CID 120608796) is 3-(2-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)propanamide;hydrochloride is CCCCOc1ccc(OC)cc1NC(=O)CCc1ccccc1N.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)propanamide;hydrochloride?
The InChIKey is FIUUCLFNGYYLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3.ClH/c1-3-4-13-25-19-11-10-16(24-2)14-18(19)22-20(23)12-9-15-7-5-6-8-17(15)21;/h5-8,10-11,14H,3-4,9,12-13,21H2,1-2H3,(H,22,23);1H.
What are the key properties of 3-(2-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)propanamide;hydrochloride?
3-(2-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)propanamide;hydrochloride has a molecular weight of 378.90 g/mol, XLogP of 4.45, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)propanamide;hydrochloride is sourced from PubChem (CID 120608796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).