N-[2-(3-acetamidophenoxy)ethyl]-2-amino-2-methylpentanamide

C16H25N3O3 — CID 119776248

IUPACN-[2-(3-acetamidophenoxy)ethyl]-2-amino-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NCCOc1cccc(NC(C)=O)c1
InChIInChI=1S/C16H25N3O3/c1-4-8-16(3,17)15(21)18-9-10-22-14-7-5-6-13(11-14)19-12(2)20/h5-7,11H,4,8-10,17H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyBICDHJMREZJEJV-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.66
Rot. Bonds8

About N-[2-(3-acetamidophenoxy)ethyl]-2-amino-2-methylpentanamide

N-[2-(3-acetamidophenoxy)ethyl]-2-amino-2-methylpentanamide (PubChem CID 119776248) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[2-(3-acetamidophenoxy)ethyl]-2-amino-2-methylpentanamide.

Molecular Properties

Compound NameN-[2-(3-acetamidophenoxy)ethyl]-2-amino-2-methylpentanamide
PubChem CID119776248
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-[2-(3-acetamidophenoxy)ethyl]-2-amino-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NCCOc1cccc(NC(C)=O)c1
InChIInChI=1S/C16H25N3O3/c1-4-8-16(3,17)15(21)18-9-10-22-14-7-5-6-13(11-14)19-12(2)20/h5-7,11H,4,8-10,17H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyBICDHJMREZJEJV-UHFFFAOYSA-N
XLogP1.66
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-methyl-N-[3-(3-methylbutoxy)phenyl]pentanamide
CID 119753505
2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylpentanamide
CID 119746790
2-amino-N-[3-[3-(dimethylamino)propoxy]phenyl]-2-methylpentanamide;dihydrochloride
CID 119885880
N-[2-(3-acetamidophenoxy)ethyl]-3-aminopropanamide;hydrochloride
CID 119319260
N-[3-[2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]ethoxy]phenyl]acetamide
CID 110966880
2-amino-2-methyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]pentanamide
CID 119778089
2-amino-N-[3-[(3-fluorophenyl)methoxy]phenyl]-2-methylpentanamide;hydrochloride
CID 119739977
2-amino-N-(3-bromophenyl)-2-methylpentanamide
CID 60847337
tert-butyl N-[2-[[N-[2-(3-acetamidophenoxy)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate
CID 111884423
butyl 2-(3-acetamidophenoxy)acetate
CID 54941709
N-[3-[2-[[N-(2-methoxy-2-methylpropyl)-N'-methylcarbamimidoyl]amino]ethoxy]phenyl]acetamide
CID 111608171
3-amino-2,2-dimethyl-N-(3-propoxyphenyl)propanamide;hydrochloride
CID 119715008

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-acetamidophenoxy)ethyl]-2-amino-2-methylpentanamide?
The IUPAC name of N-[2-(3-acetamidophenoxy)ethyl]-2-amino-2-methylpentanamide (CID 119776248) is N-[2-(3-acetamidophenoxy)ethyl]-2-amino-2-methylpentanamide.
What is the SMILES notation for N-[2-(3-acetamidophenoxy)ethyl]-2-amino-2-methylpentanamide?
The canonical SMILES for N-[2-(3-acetamidophenoxy)ethyl]-2-amino-2-methylpentanamide is CCCC(C)(N)C(=O)NCCOc1cccc(NC(C)=O)c1.
What is the InChIKey of N-[2-(3-acetamidophenoxy)ethyl]-2-amino-2-methylpentanamide?
The InChIKey is BICDHJMREZJEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-4-8-16(3,17)15(21)18-9-10-22-14-7-5-6-13(11-14)19-12(2)20/h5-7,11H,4,8-10,17H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-(3-acetamidophenoxy)ethyl]-2-amino-2-methylpentanamide?
N-[2-(3-acetamidophenoxy)ethyl]-2-amino-2-methylpentanamide has a molecular weight of 307.39 g/mol, XLogP of 1.66, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-acetamidophenoxy)ethyl]-2-amino-2-methylpentanamide is sourced from PubChem (CID 119776248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).