2-[4-(aminomethyl)phenoxy]-N-(3-ethylpent-1-yn-3-yl)acetamide

C16H22N2O2 — CID 106484945

IUPAC2-[4-(aminomethyl)phenoxy]-N-(3-ethylpent-1-yn-3-yl)acetamide
SMILESC#CC(CC)(CC)NC(=O)COc1ccc(CN)cc1
InChIInChI=1S/C16H22N2O2/c1-4-16(5-2,6-3)18-15(19)12-20-14-9-7-13(11-17)8-10-14/h1,7-10H,5-6,11-12,17H2,2-3H3,(H,18,19)
InChIKeyZTNHGHFBPJAOES-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.83
Rot. Bonds7

About 2-[4-(aminomethyl)phenoxy]-N-(3-ethylpent-1-yn-3-yl)acetamide

2-[4-(aminomethyl)phenoxy]-N-(3-ethylpent-1-yn-3-yl)acetamide (PubChem CID 106484945) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenoxy]-N-(3-ethylpent-1-yn-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenoxy]-N-(3-ethylpent-1-yn-3-yl)acetamide
PubChem CID106484945
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-[4-(aminomethyl)phenoxy]-N-(3-ethylpent-1-yn-3-yl)acetamide
SMILESC#CC(CC)(CC)NC(=O)COc1ccc(CN)cc1
InChIInChI=1S/C16H22N2O2/c1-4-16(5-2,6-3)18-15(19)12-20-14-9-7-13(11-17)8-10-14/h1,7-10H,5-6,11-12,17H2,2-3H3,(H,18,19)
InChIKeyZTNHGHFBPJAOES-UHFFFAOYSA-N
XLogP1.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.83
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

2-[4-(aminomethyl)phenoxy]-N-(2-cyano-3-methylbutan-2-yl)acetamide
CID 106484798
2-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethoxy]benzamide
CID 17442321
2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-ethylacetamide
CID 43366447
2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-methylacetamide
CID 43366442
N-(1-amino-2-methylpropan-2-yl)-2-(4-ethylphenoxy)acetamide
CID 82354507
N-tert-butyl-2-(4-ethylphenoxy)acetamide
CID 807221
N-[3-(aminomethyl)pentan-3-yl]-2-(4-ethoxyphenoxy)acetamide
CID 119570439
[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 16564461
[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 4-(oxolan-2-ylmethoxy)benzoate
CID 18201864
2-[[2-[4-(aminomethyl)phenoxy]acetyl]amino]acetamide
CID 16774708
methyl 3-bromo-4-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethoxy]benzoate
CID 24652186
2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 103566114

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenoxy]-N-(3-ethylpent-1-yn-3-yl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)phenoxy]-N-(3-ethylpent-1-yn-3-yl)acetamide (CID 106484945) is 2-[4-(aminomethyl)phenoxy]-N-(3-ethylpent-1-yn-3-yl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenoxy]-N-(3-ethylpent-1-yn-3-yl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)phenoxy]-N-(3-ethylpent-1-yn-3-yl)acetamide is C#CC(CC)(CC)NC(=O)COc1ccc(CN)cc1.
What is the InChIKey of 2-[4-(aminomethyl)phenoxy]-N-(3-ethylpent-1-yn-3-yl)acetamide?
The InChIKey is ZTNHGHFBPJAOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-16(5-2,6-3)18-15(19)12-20-14-9-7-13(11-17)8-10-14/h1,7-10H,5-6,11-12,17H2,2-3H3,(H,18,19).
What are the key properties of 2-[4-(aminomethyl)phenoxy]-N-(3-ethylpent-1-yn-3-yl)acetamide?
2-[4-(aminomethyl)phenoxy]-N-(3-ethylpent-1-yn-3-yl)acetamide has a molecular weight of 274.36 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenoxy]-N-(3-ethylpent-1-yn-3-yl)acetamide is sourced from PubChem (CID 106484945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).