2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylpentanamide

C16H26N2O2 — CID 119746790

IUPAC2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NCCOc1cc(C)cc(C)c1
InChIInChI=1S/C16H26N2O2/c1-5-6-16(4,17)15(19)18-7-8-20-14-10-12(2)9-13(3)11-14/h9-11H,5-8,17H2,1-4H3,(H,18,19)
InChIKeyRZZVFNAIGGQYMJ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.32
Rot. Bonds7

About 2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylpentanamide

2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylpentanamide (PubChem CID 119746790) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylpentanamide
PubChem CID119746790
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NCCOc1cc(C)cc(C)c1
InChIInChI=1S/C16H26N2O2/c1-5-6-16(4,17)15(19)18-7-8-20-14-10-12(2)9-13(3)11-14/h9-11H,5-8,17H2,1-4H3,(H,18,19)
InChIKeyRZZVFNAIGGQYMJ-UHFFFAOYSA-N
XLogP2.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.32
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

2-amino-2-methyl-N-[4-(4-methylphenoxy)butyl]pentanamide
CID 119722699
N-[2-(3-acetamidophenoxy)ethyl]-2-amino-2-methylpentanamide
CID 119776248
2-amino-N-(2-methoxyethyl)-2-methylpentanamide
CID 60848561
1-butyl-3-[2-(3,5-dimethylphenoxy)ethyl]urea
CID 112973945
2-amino-2-methyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]pentanamide
CID 119778089
1-amino-N-[2-(3,5-dimethylphenoxy)ethyl]cyclopropane-1-carboxamide
CID 83305851
2-amino-N-(3-ethoxypropyl)-2-methylpentanamide
CID 60848573
2-[2-(3,5-dimethylphenoxy)ethylamino]-2-oxoacetic acid
CID 82129666
2-amino-N-(2-hydroxyethyl)-2-methylpentanamide
CID 60847863
2-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylpentanamide
CID 119693075
1-[2-(3,5-dimethylphenoxy)ethyl]-3-(3-hydroxypropyl)urea
CID 110904066
2-amino-N-[1-(3,5-dimethylphenyl)ethyl]-2-methylpentanamide;hydrochloride
CID 119778527

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylpentanamide?
The IUPAC name of 2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylpentanamide (CID 119746790) is 2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylpentanamide?
The canonical SMILES for 2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylpentanamide is CCCC(C)(N)C(=O)NCCOc1cc(C)cc(C)c1.
What is the InChIKey of 2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylpentanamide?
The InChIKey is RZZVFNAIGGQYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-6-16(4,17)15(19)18-7-8-20-14-10-12(2)9-13(3)11-14/h9-11H,5-8,17H2,1-4H3,(H,18,19).
What are the key properties of 2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylpentanamide?
2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylpentanamide has a molecular weight of 278.40 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylpentanamide is sourced from PubChem (CID 119746790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).