4-amino-N-[2-(hex-1-yn-3-ylamino)-2-oxoethyl]benzamide

C15H19N3O2 — CID 106230565

IUPAC4-amino-N-[2-(hex-1-yn-3-ylamino)-2-oxoethyl]benzamide
SMILESC#CC(CCC)NC(=O)CNC(=O)c1ccc(N)cc1
InChIInChI=1S/C15H19N3O2/c1-3-5-13(4-2)18-14(19)10-17-15(20)11-6-8-12(16)9-7-11/h2,6-9,13H,3,5,10,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyYXUTXFJKNACULQ-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.92
Rot. Bonds6

About 4-amino-N-[2-(hex-1-yn-3-ylamino)-2-oxoethyl]benzamide

4-amino-N-[2-(hex-1-yn-3-ylamino)-2-oxoethyl]benzamide (PubChem CID 106230565) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-amino-N-[2-(hex-1-yn-3-ylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[2-(hex-1-yn-3-ylamino)-2-oxoethyl]benzamide
PubChem CID106230565
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-amino-N-[2-(hex-1-yn-3-ylamino)-2-oxoethyl]benzamide
SMILESC#CC(CCC)NC(=O)CNC(=O)c1ccc(N)cc1
InChIInChI=1S/C15H19N3O2/c1-3-5-13(4-2)18-14(19)10-17-15(20)11-6-8-12(16)9-7-11/h2,6-9,13H,3,5,10,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyYXUTXFJKNACULQ-UHFFFAOYSA-N
XLogP0.92
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-N-[2-(hex-1-yn-3-ylamino)-2-oxoethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-aminophenyl)-N-hex-1-yn-3-ylacetamide
CID 106223446
2-(4-aminophenyl)-N-hex-1-yn-3-yl-2-methylpropanamide
CID 106230555
4-tert-butyl-N-hex-1-yn-3-ylbenzamide
CID 106228291
4-amino-N-hexan-3-ylbenzamide
CID 62094734
4-amino-N-hex-1-yn-3-yl-2-methylbenzamide
CID 106223497
4-amino-N-[2-(4-hydroxybutan-2-ylamino)-2-oxoethyl]benzamide
CID 83177077
3-amino-N-hex-1-yn-3-ylbenzamide
CID 106223490
4-amino-N-hex-1-yn-3-yl-3-methylbenzamide
CID 114160341
4-amino-N-[2-(ethylamino)-2-oxoethyl]benzamide;hydrochloride
CID 119689751
2-[[2-[(4-aminobenzoyl)amino]acetyl]amino]butanoic acid
CID 61161200
4-amino-N-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethyl]benzamide
CID 65314150
3-amino-4-fluoro-N-hex-1-yn-3-ylbenzamide
CID 106223471

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(hex-1-yn-3-ylamino)-2-oxoethyl]benzamide?
The IUPAC name of 4-amino-N-[2-(hex-1-yn-3-ylamino)-2-oxoethyl]benzamide (CID 106230565) is 4-amino-N-[2-(hex-1-yn-3-ylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-amino-N-[2-(hex-1-yn-3-ylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-amino-N-[2-(hex-1-yn-3-ylamino)-2-oxoethyl]benzamide is C#CC(CCC)NC(=O)CNC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[2-(hex-1-yn-3-ylamino)-2-oxoethyl]benzamide?
The InChIKey is YXUTXFJKNACULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-5-13(4-2)18-14(19)10-17-15(20)11-6-8-12(16)9-7-11/h2,6-9,13H,3,5,10,16H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 4-amino-N-[2-(hex-1-yn-3-ylamino)-2-oxoethyl]benzamide?
4-amino-N-[2-(hex-1-yn-3-ylamino)-2-oxoethyl]benzamide has a molecular weight of 273.34 g/mol, XLogP of 0.92, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(hex-1-yn-3-ylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 106230565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).