2-amino-N-[2-(2-propan-2-ylphenoxy)ethyl]pentanamide;hydrochloride

C16H27ClN2O2 — CID 119324104

IUPAC2-amino-N-[2-(2-propan-2-ylphenoxy)ethyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NCCOc1ccccc1C(C)C.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-4-7-14(17)16(19)18-10-11-20-15-9-6-5-8-13(15)12(2)3;/h5-6,8-9,12,14H,4,7,10-11,17H2,1-3H3,(H,18,19);1H
InChIKeyPWCNBKGXZABLAO-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.85
Rot. Bonds8

About 2-amino-N-[2-(2-propan-2-ylphenoxy)ethyl]pentanamide;hydrochloride

2-amino-N-[2-(2-propan-2-ylphenoxy)ethyl]pentanamide;hydrochloride (PubChem CID 119324104) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 2-amino-N-[2-(2-propan-2-ylphenoxy)ethyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(2-propan-2-ylphenoxy)ethyl]pentanamide;hydrochloride
PubChem CID119324104
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC Name2-amino-N-[2-(2-propan-2-ylphenoxy)ethyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NCCOc1ccccc1C(C)C.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-4-7-14(17)16(19)18-10-11-20-15-9-6-5-8-13(15)12(2)3;/h5-6,8-9,12,14H,4,7,10-11,17H2,1-3H3,(H,18,19);1H
InChIKeyPWCNBKGXZABLAO-UHFFFAOYSA-N
XLogP2.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.85
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

(2S)-2-amino-4-methylsulfanyl-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide
CID 119324093
2-amino-3-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]pentanamide
CID 119784411
2-amino-N-[2-(2-ethoxyphenyl)ethyl]pentanamide
CID 119317373
3-(2-aminophenyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide;hydrochloride
CID 120610734
2-amino-4-(2-propan-2-ylphenoxy)butanoic acid
CID 63039168
2-amino-N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]pentanamide
CID 119293185
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 111435144
1-(2-fluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972279
1-[(2-methoxyphenyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972214
2-(4-fluorophenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide
CID 133165278
2-amino-N-(2-propoxyphenyl)pentanamide
CID 43702443
2-amino-N-[2-(2-methoxyphenyl)ethyl]pentanamide
CID 113228128

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-propan-2-ylphenoxy)ethyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(2-propan-2-ylphenoxy)ethyl]pentanamide;hydrochloride (CID 119324104) is 2-amino-N-[2-(2-propan-2-ylphenoxy)ethyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(2-propan-2-ylphenoxy)ethyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(2-propan-2-ylphenoxy)ethyl]pentanamide;hydrochloride is CCCC(N)C(=O)NCCOc1ccccc1C(C)C.Cl.
What is the InChIKey of 2-amino-N-[2-(2-propan-2-ylphenoxy)ethyl]pentanamide;hydrochloride?
The InChIKey is PWCNBKGXZABLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-4-7-14(17)16(19)18-10-11-20-15-9-6-5-8-13(15)12(2)3;/h5-6,8-9,12,14H,4,7,10-11,17H2,1-3H3,(H,18,19);1H.
What are the key properties of 2-amino-N-[2-(2-propan-2-ylphenoxy)ethyl]pentanamide;hydrochloride?
2-amino-N-[2-(2-propan-2-ylphenoxy)ethyl]pentanamide;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-propan-2-ylphenoxy)ethyl]pentanamide;hydrochloride is sourced from PubChem (CID 119324104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).