2-amino-3-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]pentanamide

C17H28N2O2 — CID 119784411

IUPAC2-amino-3-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]pentanamide
SMILESCCC(C)C(N)C(=O)NCCOc1ccccc1C(C)C
InChIInChI=1S/C17H28N2O2/c1-5-13(4)16(18)17(20)19-10-11-21-15-9-7-6-8-14(15)12(2)3/h6-9,12-13,16H,5,10-11,18H2,1-4H3,(H,19,20)
InChIKeyWQKMAUBLXPAOOK-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.68
Rot. Bonds8

About 2-amino-3-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]pentanamide

2-amino-3-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]pentanamide (PubChem CID 119784411) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]pentanamide
PubChem CID119784411
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-amino-3-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]pentanamide
SMILESCCC(C)C(N)C(=O)NCCOc1ccccc1C(C)C
InChIInChI=1S/C17H28N2O2/c1-5-13(4)16(18)17(20)19-10-11-21-15-9-7-6-8-14(15)12(2)3/h6-9,12-13,16H,5,10-11,18H2,1-4H3,(H,19,20)
InChIKeyWQKMAUBLXPAOOK-UHFFFAOYSA-N
XLogP2.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.68
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-3-methyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]pentanamide
CID 119778077
2-amino-N-[2-(2-propan-2-ylphenoxy)ethyl]pentanamide;hydrochloride
CID 119324104
(2S)-2-amino-4-methylsulfanyl-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide
CID 119324093
2-(4-fluorophenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide
CID 133165278
2-amino-N-[2-(2,6-dimethylphenoxy)ethyl]-3-methylpentanamide;hydrochloride
CID 119734945
3-(2-aminophenyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide;hydrochloride
CID 120610734
2-(2,5-dimethylphenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide
CID 133165284
2-ethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline
CID 54798096
1-(2-fluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972279
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 111435144
1-[(2-methoxyphenyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972214
1-[3-(dimethylamino)propyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972198

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]pentanamide?
The IUPAC name of 2-amino-3-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]pentanamide (CID 119784411) is 2-amino-3-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]pentanamide is CCC(C)C(N)C(=O)NCCOc1ccccc1C(C)C.
What is the InChIKey of 2-amino-3-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]pentanamide?
The InChIKey is WQKMAUBLXPAOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-13(4)16(18)17(20)19-10-11-21-15-9-7-6-8-14(15)12(2)3/h6-9,12-13,16H,5,10-11,18H2,1-4H3,(H,19,20).
What are the key properties of 2-amino-3-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]pentanamide?
2-amino-3-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]pentanamide has a molecular weight of 292.42 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]pentanamide is sourced from PubChem (CID 119784411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).