2-(4-aminophenyl)-N-hex-1-yn-3-ylacetamide

C14H18N2O — CID 106223446

IUPAC2-(4-aminophenyl)-N-hex-1-yn-3-ylacetamide
SMILESC#CC(CCC)NC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C14H18N2O/c1-3-5-13(4-2)16-14(17)10-11-6-8-12(15)9-7-11/h2,6-9,13H,3,5,10,15H2,1H3,(H,16,17)
InChIKeyULHRCRKNIQVSCL-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.73
Rot. Bonds5

About 2-(4-aminophenyl)-N-hex-1-yn-3-ylacetamide

2-(4-aminophenyl)-N-hex-1-yn-3-ylacetamide (PubChem CID 106223446) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-hex-1-yn-3-ylacetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-hex-1-yn-3-ylacetamide
PubChem CID106223446
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-(4-aminophenyl)-N-hex-1-yn-3-ylacetamide
SMILESC#CC(CCC)NC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C14H18N2O/c1-3-5-13(4-2)16-14(17)10-11-6-8-12(15)9-7-11/h2,6-9,13H,3,5,10,15H2,1H3,(H,16,17)
InChIKeyULHRCRKNIQVSCL-UHFFFAOYSA-N
XLogP1.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[2-(hex-1-yn-3-ylamino)-2-oxoethyl]benzamide
CID 106230565
N-hex-1-yn-3-yl-2-naphthalen-2-ylacetamide
CID 103528710
2-(4-aminophenyl)-N-hex-1-yn-3-yl-2-methylpropanamide
CID 106230555
2-(2-chlorophenyl)-N-hex-1-yn-3-ylacetamide
CID 103528530
2-(4-hydroxyphenyl)-N-pent-1-yn-3-ylacetamide
CID 103579156
4-amino-N-hex-1-yn-3-yl-2-methylbenzamide
CID 106223497
3-amino-N-hex-1-yn-3-ylbenzamide
CID 106223490
5-amino-2-fluoro-N-hex-1-yn-3-ylbenzamide
CID 106223460
(2S)-2-[[2-(4-aminophenyl)acetyl]amino]hexanoic acid
CID 107146910
1-(4-aminophenyl)-N-hex-1-yn-3-ylpyrazole-3-carboxamide
CID 106223477
5-(aminomethyl)-N-hex-1-yn-3-ylfuran-2-carboxamide
CID 106230583
2-(4-aminophenyl)-N-but-3-en-2-ylacetamide
CID 115739603

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-hex-1-yn-3-ylacetamide?
The IUPAC name of 2-(4-aminophenyl)-N-hex-1-yn-3-ylacetamide (CID 106223446) is 2-(4-aminophenyl)-N-hex-1-yn-3-ylacetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-hex-1-yn-3-ylacetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-hex-1-yn-3-ylacetamide is C#CC(CCC)NC(=O)Cc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-hex-1-yn-3-ylacetamide?
The InChIKey is ULHRCRKNIQVSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-5-13(4-2)16-14(17)10-11-6-8-12(15)9-7-11/h2,6-9,13H,3,5,10,15H2,1H3,(H,16,17).
What are the key properties of 2-(4-aminophenyl)-N-hex-1-yn-3-ylacetamide?
2-(4-aminophenyl)-N-hex-1-yn-3-ylacetamide has a molecular weight of 230.31 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-hex-1-yn-3-ylacetamide is sourced from PubChem (CID 106223446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).