2-amino-2-methyl-N-[4-(4-methylphenoxy)butyl]pentanamide

C17H28N2O2 — CID 119722699

IUPAC2-amino-2-methyl-N-[4-(4-methylphenoxy)butyl]pentanamide
SMILESCCCC(C)(N)C(=O)NCCCCOc1ccc(C)cc1
InChIInChI=1S/C17H28N2O2/c1-4-11-17(3,18)16(20)19-12-5-6-13-21-15-9-7-14(2)8-10-15/h7-10H,4-6,11-13,18H2,1-3H3,(H,19,20)
InChIKeyPYECIXWPOBLOBP-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.79
Rot. Bonds9

About 2-amino-2-methyl-N-[4-(4-methylphenoxy)butyl]pentanamide

2-amino-2-methyl-N-[4-(4-methylphenoxy)butyl]pentanamide (PubChem CID 119722699) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[4-(4-methylphenoxy)butyl]pentanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[4-(4-methylphenoxy)butyl]pentanamide
PubChem CID119722699
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-amino-2-methyl-N-[4-(4-methylphenoxy)butyl]pentanamide
SMILESCCCC(C)(N)C(=O)NCCCCOc1ccc(C)cc1
InChIInChI=1S/C17H28N2O2/c1-4-11-17(3,18)16(20)19-12-5-6-13-21-15-9-7-14(2)8-10-15/h7-10H,4-6,11-13,18H2,1-3H3,(H,19,20)
InChIKeyPYECIXWPOBLOBP-UHFFFAOYSA-N
XLogP2.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.79
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-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylpentanamide
CID 119746790
1,3-bis[4-(4-methylphenoxy)butyl]urea
CID 47093546
2-amino-N-(3-ethoxypropyl)-2-methylpentanamide
CID 60848573
2-amino-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]pentanamide;hydrochloride
CID 119695424
N-[2-(3-acetamidophenoxy)ethyl]-2-amino-2-methylpentanamide
CID 119776248
N-[3-(4-methylphenoxy)propyl]acetamide
CID 58966904
2-amino-N-(2-methoxyethyl)-2-methylpentanamide
CID 60848561
2-amino-2-methyl-N-(3-phenylpropyl)pentanamide;hydrochloride
CID 119674817
1-amino-N-[4-(4-methylphenoxy)butyl]cyclopentane-1-carboxamide
CID 119288961
2-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylpentanamide
CID 119693075
3-chloro-2,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 82109933
4-(methylamino)-N-[4-(4-methylphenoxy)butyl]butanamide
CID 119722655

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[4-(4-methylphenoxy)butyl]pentanamide?
The IUPAC name of 2-amino-2-methyl-N-[4-(4-methylphenoxy)butyl]pentanamide (CID 119722699) is 2-amino-2-methyl-N-[4-(4-methylphenoxy)butyl]pentanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[4-(4-methylphenoxy)butyl]pentanamide?
The canonical SMILES for 2-amino-2-methyl-N-[4-(4-methylphenoxy)butyl]pentanamide is CCCC(C)(N)C(=O)NCCCCOc1ccc(C)cc1.
What is the InChIKey of 2-amino-2-methyl-N-[4-(4-methylphenoxy)butyl]pentanamide?
The InChIKey is PYECIXWPOBLOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-11-17(3,18)16(20)19-12-5-6-13-21-15-9-7-14(2)8-10-15/h7-10H,4-6,11-13,18H2,1-3H3,(H,19,20).
What are the key properties of 2-amino-2-methyl-N-[4-(4-methylphenoxy)butyl]pentanamide?
2-amino-2-methyl-N-[4-(4-methylphenoxy)butyl]pentanamide has a molecular weight of 292.42 g/mol, XLogP of 2.79, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[4-(4-methylphenoxy)butyl]pentanamide is sourced from PubChem (CID 119722699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).