3-amino-N-(4-butoxy-2,6-dimethylphenyl)propanamide;hydrochloride

C15H25ClN2O2 — CID 12546919

IUPAC3-amino-N-(4-butoxy-2,6-dimethylphenyl)propanamide;hydrochloride
SMILESCCCCOc1cc(C)c(NC(=O)CCN)c(C)c1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-4-5-8-19-13-9-11(2)15(12(3)10-13)17-14(18)6-7-16;/h9-10H,4-8,16H2,1-3H3,(H,17,18);1H
InChIKeyFMXHOCVHTAXFAU-UHFFFAOYSA-N
MW300.83 g/mol
LogP3.19
Rot. Bonds7

About 3-amino-N-(4-butoxy-2,6-dimethylphenyl)propanamide;hydrochloride

3-amino-N-(4-butoxy-2,6-dimethylphenyl)propanamide;hydrochloride (PubChem CID 12546919) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 3-amino-N-(4-butoxy-2,6-dimethylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(4-butoxy-2,6-dimethylphenyl)propanamide;hydrochloride
PubChem CID12546919
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name3-amino-N-(4-butoxy-2,6-dimethylphenyl)propanamide;hydrochloride
SMILESCCCCOc1cc(C)c(NC(=O)CCN)c(C)c1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-4-5-8-19-13-9-11(2)15(12(3)10-13)17-14(18)6-7-16;/h9-10H,4-8,16H2,1-3H3,(H,17,18);1H
InChIKeyFMXHOCVHTAXFAU-UHFFFAOYSA-N
XLogP3.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[4-(benzyloxy)phenyl]butanamide
CID 22692237
N-(4-Methoxy-2-methylphenyl)-acetamide
CID 95082
4-Methylformamido-3,5-xylyl methylcarbamate
CID 25069
3-[(2,4-dimethylanilino)methyl]-6-methoxy-1H-quinolin-2-one
CID 941920
6-methoxy-3-[(4-methoxyanilino)methyl]-1H-quinolin-2-one
CID 664029
3-[(cyclohexylamino)methyl]-6-methoxy-1H-quinolin-2-one
CID 664711
6-Methoxy-3-phenylaminomethyl-quinolin-2-ol
CID 942126
6-methoxy-3-[(3-methylanilino)methyl]-1H-quinolin-2-one
CID 943158
6-ethoxyspiro[1H-quinoline-2,4'-piperidine]
CID 44383698
3-[(4-ethoxyanilino)methyl]-6-methoxy-1H-quinolin-2-one
CID 943093
6-methoxy-3-[(2-methylanilino)methyl]-1H-quinolin-2-one
CID 944292
Acetamide, N-(4-(acetyloxy)-2,6-dimethylphenyl)-
CID 214380

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-butoxy-2,6-dimethylphenyl)propanamide;hydrochloride?
The IUPAC name of 3-amino-N-(4-butoxy-2,6-dimethylphenyl)propanamide;hydrochloride (CID 12546919) is 3-amino-N-(4-butoxy-2,6-dimethylphenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(4-butoxy-2,6-dimethylphenyl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(4-butoxy-2,6-dimethylphenyl)propanamide;hydrochloride is CCCCOc1cc(C)c(NC(=O)CCN)c(C)c1.Cl.
What is the InChIKey of 3-amino-N-(4-butoxy-2,6-dimethylphenyl)propanamide;hydrochloride?
The InChIKey is FMXHOCVHTAXFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-4-5-8-19-13-9-11(2)15(12(3)10-13)17-14(18)6-7-16;/h9-10H,4-8,16H2,1-3H3,(H,17,18);1H.
What are the key properties of 3-amino-N-(4-butoxy-2,6-dimethylphenyl)propanamide;hydrochloride?
3-amino-N-(4-butoxy-2,6-dimethylphenyl)propanamide;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-butoxy-2,6-dimethylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 12546919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).