2-[2-(2-aminobutyl)-4-methylphenoxy]-N-prop-2-ynylpropanamide

C17H24N2O2 — CID 63326039

IUPAC2-[2-(2-aminobutyl)-4-methylphenoxy]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Oc1ccc(C)cc1CC(N)CC
InChIInChI=1S/C17H24N2O2/c1-5-9-19-17(20)13(4)21-16-8-7-12(3)10-14(16)11-15(18)6-2/h1,7-8,10,13,15H,6,9,11,18H2,2-4H3,(H,19,20)
InChIKeyIZYIPEXHGCKGFI-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.79
Rot. Bonds7

About 2-[2-(2-aminobutyl)-4-methylphenoxy]-N-prop-2-ynylpropanamide

2-[2-(2-aminobutyl)-4-methylphenoxy]-N-prop-2-ynylpropanamide (PubChem CID 63326039) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[2-(2-aminobutyl)-4-methylphenoxy]-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-[2-(2-aminobutyl)-4-methylphenoxy]-N-prop-2-ynylpropanamide
PubChem CID63326039
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-[2-(2-aminobutyl)-4-methylphenoxy]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Oc1ccc(C)cc1CC(N)CC
InChIInChI=1S/C17H24N2O2/c1-5-9-19-17(20)13(4)21-16-8-7-12(3)10-14(16)11-15(18)6-2/h1,7-8,10,13,15H,6,9,11,18H2,2-4H3,(H,19,20)
InChIKeyIZYIPEXHGCKGFI-UHFFFAOYSA-N
XLogP1.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[2-(2-aminobutyl)-4-methylphenoxy]propanoate
CID 63326295
2-[4-(2-aminobutyl)-2-fluorophenoxy]-N-prop-2-ynylpropanamide
CID 107693370
2-[2-(2-aminobutyl)-3-chlorophenoxy]-N-prop-2-ynylpropanamide
CID 114322096
2-[2-(2-aminopropyl)-4-methylphenoxy]-N-(2-methylpropyl)propanamide
CID 63325804
2-[2-(2-aminobutyl)-4-methoxyphenoxy]-N-ethylpropanamide
CID 60907071
2-(5-methyl-2-propan-2-ylphenoxy)-N-prop-2-ynylpropanamide
CID 134038041
2-[2-(2-aminobutyl)phenoxy]-N-(2-methylpropyl)propanamide
CID 60907094
ethyl 2-[2-(2-aminobutyl)-4-methylphenoxy]butanoate
CID 64663407
2-[2-(2-aminopropyl)-4-methylphenoxy]-N-propan-2-ylpropanamide
CID 63325896
2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-methylpropanamide
CID 107701346
2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-prop-2-ynylpropanamide
CID 79795171
2-[2-(aminomethyl)-4-methylphenoxy]-N-butylpropanamide
CID 63322427

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminobutyl)-4-methylphenoxy]-N-prop-2-ynylpropanamide?
The IUPAC name of 2-[2-(2-aminobutyl)-4-methylphenoxy]-N-prop-2-ynylpropanamide (CID 63326039) is 2-[2-(2-aminobutyl)-4-methylphenoxy]-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-[2-(2-aminobutyl)-4-methylphenoxy]-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-[2-(2-aminobutyl)-4-methylphenoxy]-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)Oc1ccc(C)cc1CC(N)CC.
What is the InChIKey of 2-[2-(2-aminobutyl)-4-methylphenoxy]-N-prop-2-ynylpropanamide?
The InChIKey is IZYIPEXHGCKGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-5-9-19-17(20)13(4)21-16-8-7-12(3)10-14(16)11-15(18)6-2/h1,7-8,10,13,15H,6,9,11,18H2,2-4H3,(H,19,20).
What are the key properties of 2-[2-(2-aminobutyl)-4-methylphenoxy]-N-prop-2-ynylpropanamide?
2-[2-(2-aminobutyl)-4-methylphenoxy]-N-prop-2-ynylpropanamide has a molecular weight of 288.39 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminobutyl)-4-methylphenoxy]-N-prop-2-ynylpropanamide is sourced from PubChem (CID 63326039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).