3-(2-aminophenyl)-N-butyl-N-(2-methoxyethyl)propanamide;hydrochloride

C16H27ClN2O2 — CID 120610634

IUPAC3-(2-aminophenyl)-N-butyl-N-(2-methoxyethyl)propanamide;hydrochloride
SMILESCCCCN(CCOC)C(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-3-4-11-18(12-13-20-2)16(19)10-9-14-7-5-6-8-15(14)17;/h5-8H,3-4,9-13,17H2,1-2H3;1H
InChIKeyKTLAZAOQVHVTGK-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.90
Rot. Bonds9

About 3-(2-aminophenyl)-N-butyl-N-(2-methoxyethyl)propanamide;hydrochloride

3-(2-aminophenyl)-N-butyl-N-(2-methoxyethyl)propanamide;hydrochloride (PubChem CID 120610634) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-butyl-N-(2-methoxyethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-butyl-N-(2-methoxyethyl)propanamide;hydrochloride
PubChem CID120610634
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC Name3-(2-aminophenyl)-N-butyl-N-(2-methoxyethyl)propanamide;hydrochloride
SMILESCCCCN(CCOC)C(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-3-4-11-18(12-13-20-2)16(19)10-9-14-7-5-6-8-15(14)17;/h5-8H,3-4,9-13,17H2,1-2H3;1H
InChIKeyKTLAZAOQVHVTGK-UHFFFAOYSA-N
XLogP2.90
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 43309247
methyl 2-[3-(2-aminophenyl)propanoyl-propylamino]acetate
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3-(2-aminophenyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)propanamide;hydrochloride
CID 120610684
3-(2-aminophenyl)-N-butyl-N-(1-phenylethyl)propanamide;hydrochloride
CID 120611121
3-(2-aminophenyl)-N-(2-ethoxyethyl)-N-methylpropanamide
CID 81061981
3-(2-chlorophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
CID 115902164
N-(2-bromoethyl)-N-butyl-3-(2-methylphenyl)propanamide
CID 80659752
N-(2-chloroethyl)-N-(2-methoxyethyl)-3-(2-methylphenyl)propanamide
CID 113468244
2-(2-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)acetamide
CID 61107155
3-(2-aminophenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 120609423
3-(2-methoxyethoxy)propyl 3-(2-aminophenyl)propanoate
CID 107273933
3-(3-amino-4-methoxyphenyl)-N,N-dibutylpropanamide
CID 82071433

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-butyl-N-(2-methoxyethyl)propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-butyl-N-(2-methoxyethyl)propanamide;hydrochloride (CID 120610634) is 3-(2-aminophenyl)-N-butyl-N-(2-methoxyethyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-butyl-N-(2-methoxyethyl)propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-butyl-N-(2-methoxyethyl)propanamide;hydrochloride is CCCCN(CCOC)C(=O)CCc1ccccc1N.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-butyl-N-(2-methoxyethyl)propanamide;hydrochloride?
The InChIKey is KTLAZAOQVHVTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-3-4-11-18(12-13-20-2)16(19)10-9-14-7-5-6-8-15(14)17;/h5-8H,3-4,9-13,17H2,1-2H3;1H.
What are the key properties of 3-(2-aminophenyl)-N-butyl-N-(2-methoxyethyl)propanamide;hydrochloride?
3-(2-aminophenyl)-N-butyl-N-(2-methoxyethyl)propanamide;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-butyl-N-(2-methoxyethyl)propanamide;hydrochloride is sourced from PubChem (CID 120610634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).