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

C19H25ClN2O2 — CID 120608637

IUPAC3-(2-aminophenyl)-N-(2-butoxyphenyl)propanamide;hydrochloride
SMILESCCCCOc1ccccc1NC(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-2-3-14-23-18-11-7-6-10-17(18)21-19(22)13-12-15-8-4-5-9-16(15)20;/h4-11H,2-3,12-14,20H2,1H3,(H,21,22);1H
InChIKeyNTHHYRLFEZZMPX-UHFFFAOYSA-N
MW348.87 g/mol
LogP4.44
Rot. Bonds8

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

3-(2-aminophenyl)-N-(2-butoxyphenyl)propanamide;hydrochloride (PubChem CID 120608637) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(2-butoxyphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(2-butoxyphenyl)propanamide;hydrochloride
PubChem CID120608637
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name3-(2-aminophenyl)-N-(2-butoxyphenyl)propanamide;hydrochloride
SMILESCCCCOc1ccccc1NC(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-2-3-14-23-18-11-7-6-10-17(18)21-19(22)13-12-15-8-4-5-9-16(15)20;/h4-11H,2-3,12-14,20H2,1H3,(H,21,22);1H
InChIKeyNTHHYRLFEZZMPX-UHFFFAOYSA-N
XLogP4.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 54.44
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-butoxy-5-methoxyphenyl)propanamide;hydrochloride
CID 120608796
N,N'-bis(2-butoxyphenyl)hexanediamide
CID 17087317
3-(2-aminophenyl)-N-(2-propan-2-yloxyphenyl)propanamide;hydrochloride
CID 120608791
3-(2-aminophenyl)-N-(4-butoxy-2-methylphenyl)propanamide
CID 120609491
N-(2-butoxyphenyl)tetradecanamide
CID 54789601
N-(2-butoxyphenyl)propanamide
CID 15943029
3-(2-aminophenyl)-N-(4-heptoxyphenyl)propanamide
CID 54795522
1,3-bis(2-butoxyphenyl)urea
CID 17170447
3-(2-bromo-4,5-dimethoxyphenyl)-N-(2-butoxyphenyl)propanamide
CID 2071400
N-(2-butoxyphenyl)-3-(4-methoxyphenyl)propanamide
CID 19221044
N-[2-[2-(2-aminophenyl)ethoxy]phenyl]acetamide
CID 62496426
3-amino-N-(2-propoxyphenyl)propanamide;hydrochloride
CID 119268305

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(2-butoxyphenyl)propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-(2-butoxyphenyl)propanamide;hydrochloride (CID 120608637) is 3-(2-aminophenyl)-N-(2-butoxyphenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-(2-butoxyphenyl)propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-(2-butoxyphenyl)propanamide;hydrochloride is CCCCOc1ccccc1NC(=O)CCc1ccccc1N.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-(2-butoxyphenyl)propanamide;hydrochloride?
The InChIKey is NTHHYRLFEZZMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2.ClH/c1-2-3-14-23-18-11-7-6-10-17(18)21-19(22)13-12-15-8-4-5-9-16(15)20;/h4-11H,2-3,12-14,20H2,1H3,(H,21,22);1H.
What are the key properties of 3-(2-aminophenyl)-N-(2-butoxyphenyl)propanamide;hydrochloride?
3-(2-aminophenyl)-N-(2-butoxyphenyl)propanamide;hydrochloride has a molecular weight of 348.87 g/mol, XLogP of 4.44, 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-(2-butoxyphenyl)propanamide;hydrochloride is sourced from PubChem (CID 120608637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).