2-formamido-N-hex-5-ynylacetamide

C9H14N2O2 — CID 143163619

IUPAC2-formamido-N-hex-5-ynylacetamide
SMILESC#CCCCCNC(=O)CNC=O
InChIInChI=1S/C9H14N2O2/c1-2-3-4-5-6-11-9(13)7-10-8-12/h1,8H,3-7H2,(H,10,12)(H,11,13)
InChIKeyPHSNWPJEKRLZDR-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.35
Rot. Bonds7

About 2-formamido-N-hex-5-ynylacetamide

2-formamido-N-hex-5-ynylacetamide (PubChem CID 143163619) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-formamido-N-hex-5-ynylacetamide.

Molecular Properties

Compound Name2-formamido-N-hex-5-ynylacetamide
PubChem CID143163619
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-formamido-N-hex-5-ynylacetamide
SMILESC#CCCCCNC(=O)CNC=O
InChIInChI=1S/C9H14N2O2/c1-2-3-4-5-6-11-9(13)7-10-8-12/h1,8H,3-7H2,(H,10,12)(H,11,13)
InChIKeyPHSNWPJEKRLZDR-UHFFFAOYSA-N
XLogP-0.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-formamido-N-hex-5-ynylacetamide 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

N-hex-5-ynyl-2-(propan-2-ylamino)acetamide
CID 106213054
2-cyano-N-hex-5-ynylacetamide
CID 104920077
1-hex-5-ynyl-3-methylurea
CID 103757181
N-hex-5-ynyl-2-methylsulfonylacetamide
CID 103758108
N-hex-5-ynyl-3,3-dimethylbutanamide
CID 103758094
N-but-3-ynylhex-5-ynamide
CID 10630847
oct-7-ynylcarbamic acid
CID 174966346
2-(hex-5-ynylamino)-N-(2-methylpropyl)acetamide
CID 106211958
2-formamido-N-[2-(methylamino)ethyl]acetamide
CID 144693506
N-hex-5-ynyl-3-methylsulfanylpropanamide
CID 103757804
methyl N-hex-5-ynylcarbamate
CID 103758218
3-amino-N-hex-5-ynylpentanamide
CID 106213039

Frequently Asked Questions

What is the IUPAC name of 2-formamido-N-hex-5-ynylacetamide?
The IUPAC name of 2-formamido-N-hex-5-ynylacetamide (CID 143163619) is 2-formamido-N-hex-5-ynylacetamide.
What is the SMILES notation for 2-formamido-N-hex-5-ynylacetamide?
The canonical SMILES for 2-formamido-N-hex-5-ynylacetamide is C#CCCCCNC(=O)CNC=O.
What is the InChIKey of 2-formamido-N-hex-5-ynylacetamide?
The InChIKey is PHSNWPJEKRLZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-2-3-4-5-6-11-9(13)7-10-8-12/h1,8H,3-7H2,(H,10,12)(H,11,13).
What are the key properties of 2-formamido-N-hex-5-ynylacetamide?
2-formamido-N-hex-5-ynylacetamide has a molecular weight of 182.22 g/mol, XLogP of -0.35, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamido-N-hex-5-ynylacetamide is sourced from PubChem (CID 143163619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).