N-hex-5-ynyl-2-(2-methylphenyl)acetamide

C15H19NO — CID 103758083

IUPACN-hex-5-ynyl-2-(2-methylphenyl)acetamide
SMILESC#CCCCCNC(=O)Cc1ccccc1C
InChIInChI=1S/C15H19NO/c1-3-4-5-8-11-16-15(17)12-14-10-7-6-9-13(14)2/h1,6-7,9-10H,4-5,8,11-12H2,2H3,(H,16,17)
InChIKeyCIUBOSNUCXXYBE-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.46
Rot. Bonds6

About N-hex-5-ynyl-2-(2-methylphenyl)acetamide

N-hex-5-ynyl-2-(2-methylphenyl)acetamide (PubChem CID 103758083) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is N-hex-5-ynyl-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-hex-5-ynyl-2-(2-methylphenyl)acetamide
PubChem CID103758083
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC NameN-hex-5-ynyl-2-(2-methylphenyl)acetamide
SMILESC#CCCCCNC(=O)Cc1ccccc1C
InChIInChI=1S/C15H19NO/c1-3-4-5-8-11-16-15(17)12-14-10-7-6-9-13(14)2/h1,6-7,9-10H,4-5,8,11-12H2,2H3,(H,16,17)
InChIKeyCIUBOSNUCXXYBE-UHFFFAOYSA-N
XLogP2.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminobutyl)-2-(2-methylphenyl)acetamide
CID 60893782
5-[[2-(2-methylphenyl)acetyl]amino]pentanoic acid
CID 62033790
N-(5-iodopentyl)-2-(2-methylphenyl)acetamide
CID 107322612
N-hex-5-ynyl-2-(1H-indol-3-yl)acetamide
CID 113256112
2,6-dimethyl-N-pent-4-ynylbenzamide
CID 103714373
2-(2-methylphenyl)-N-(3-pyrrol-1-ylpropyl)acetamide
CID 110721082
2-(4-aminophenyl)-N-hex-5-ynylacetamide
CID 106208123
N-[2-(ethylamino)ethyl]-2-(2-methylphenyl)acetamide
CID 62658588
2-ethyl-N-pent-4-ynylbenzamide
CID 103816602
2-(3-bromophenyl)-N-hex-5-ynylacetamide
CID 103757951
2-(hex-5-ynylamino)-N-(2-methylphenyl)acetamide
CID 106211416
tert-butyl N-[3-[3-[[2-(2-methylphenyl)acetyl]amino]propylamino]-3-oxopropyl]carbamate
CID 108921667

Frequently Asked Questions

What is the IUPAC name of N-hex-5-ynyl-2-(2-methylphenyl)acetamide?
The IUPAC name of N-hex-5-ynyl-2-(2-methylphenyl)acetamide (CID 103758083) is N-hex-5-ynyl-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-hex-5-ynyl-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-hex-5-ynyl-2-(2-methylphenyl)acetamide is C#CCCCCNC(=O)Cc1ccccc1C.
What is the InChIKey of N-hex-5-ynyl-2-(2-methylphenyl)acetamide?
The InChIKey is CIUBOSNUCXXYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-3-4-5-8-11-16-15(17)12-14-10-7-6-9-13(14)2/h1,6-7,9-10H,4-5,8,11-12H2,2H3,(H,16,17).
What are the key properties of N-hex-5-ynyl-2-(2-methylphenyl)acetamide?
N-hex-5-ynyl-2-(2-methylphenyl)acetamide has a molecular weight of 229.32 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-ynyl-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 103758083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).