2-amino-6-(4-butylphenoxy)-2-methylhexanamide

C17H28N2O2 — CID 115493137

IUPAC2-amino-6-(4-butylphenoxy)-2-methylhexanamide
SMILESCCCCc1ccc(OCCCCC(C)(N)C(N)=O)cc1
InChIInChI=1S/C17H28N2O2/c1-3-4-7-14-8-10-15(11-9-14)21-13-6-5-12-17(2,19)16(18)20/h8-11H,3-7,12-13,19H2,1-2H3,(H2,18,20)
InChIKeyPFQSYBJVAOBFMT-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.78
Rot. Bonds10

About 2-amino-6-(4-butylphenoxy)-2-methylhexanamide

2-amino-6-(4-butylphenoxy)-2-methylhexanamide (PubChem CID 115493137) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-amino-6-(4-butylphenoxy)-2-methylhexanamide.

Molecular Properties

Compound Name2-amino-6-(4-butylphenoxy)-2-methylhexanamide
PubChem CID115493137
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-amino-6-(4-butylphenoxy)-2-methylhexanamide
SMILESCCCCc1ccc(OCCCCC(C)(N)C(N)=O)cc1
InChIInChI=1S/C17H28N2O2/c1-3-4-7-14-8-10-15(11-9-14)21-13-6-5-12-17(2,19)16(18)20/h8-11H,3-7,12-13,19H2,1-2H3,(H2,18,20)
InChIKeyPFQSYBJVAOBFMT-UHFFFAOYSA-N
XLogP2.78
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.78
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

ethyl 2-amino-2-methyl-5-(4-propylphenoxy)pentanoate
CID 62549258
methyl 2-amino-6-[4-(2-hydroxyethyl)phenoxy]-2-methylhexanoate
CID 107709921
(4R)-4-amino-6-(4-heptoxyphenyl)-4-methylhexanoic acid
CID 11772019
6-(4-butylphenoxy)hexan-2-one
CID 115492852
2-amino-5-(4-butylphenoxy)-2-ethylpentan-1-ol
CID 106810666
(2S)-2-amino-2-methyl-4-(4-nonoxyphenyl)butan-1-ol
CID 132916636
tert-butyl 3-(4-butylphenoxy)propanoate
CID 116659256
[2-(acetyloxymethyl)-2-amino-4-(4-heptoxyphenyl)butyl] acetate
CID 10810592
ethyl 3-(4-butylphenoxy)propanoate
CID 115492144
4,4-dimethyl-1-(4-pentoxyphenyl)pentan-3-one
CID 82184881
5-(4-butylphenoxy)pentan-1-ol
CID 113322723
(2R)-2-amino-4-(4-heptoxyphenyl)-2-methylbutan-1-ol;hydrochloride
CID 45261292

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-butylphenoxy)-2-methylhexanamide?
The IUPAC name of 2-amino-6-(4-butylphenoxy)-2-methylhexanamide (CID 115493137) is 2-amino-6-(4-butylphenoxy)-2-methylhexanamide.
What is the SMILES notation for 2-amino-6-(4-butylphenoxy)-2-methylhexanamide?
The canonical SMILES for 2-amino-6-(4-butylphenoxy)-2-methylhexanamide is CCCCc1ccc(OCCCCC(C)(N)C(N)=O)cc1.
What is the InChIKey of 2-amino-6-(4-butylphenoxy)-2-methylhexanamide?
The InChIKey is PFQSYBJVAOBFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-4-7-14-8-10-15(11-9-14)21-13-6-5-12-17(2,19)16(18)20/h8-11H,3-7,12-13,19H2,1-2H3,(H2,18,20).
What are the key properties of 2-amino-6-(4-butylphenoxy)-2-methylhexanamide?
2-amino-6-(4-butylphenoxy)-2-methylhexanamide has a molecular weight of 292.42 g/mol, XLogP of 2.78, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-butylphenoxy)-2-methylhexanamide is sourced from PubChem (CID 115493137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).