N-pent-4-yn-2-ylpropanamide

C8H13NO — CID 115661827

IUPACN-pent-4-yn-2-ylpropanamide
SMILESC#CCC(C)NC(=O)CC
InChIInChI=1S/C8H13NO/c1-4-6-7(3)9-8(10)5-2/h1,7H,5-6H2,2-3H3,(H,9,10)
InChIKeyCSRZBUZNKVULKG-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.92
Rot. Bonds3

About N-pent-4-yn-2-ylpropanamide

N-pent-4-yn-2-ylpropanamide (PubChem CID 115661827) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is N-pent-4-yn-2-ylpropanamide.

Molecular Properties

Compound NameN-pent-4-yn-2-ylpropanamide
PubChem CID115661827
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC NameN-pent-4-yn-2-ylpropanamide
SMILESC#CCC(C)NC(=O)CC
InChIInChI=1S/C8H13NO/c1-4-6-7(3)9-8(10)5-2/h1,7H,5-6H2,2-3H3,(H,9,10)
InChIKeyCSRZBUZNKVULKG-UHFFFAOYSA-N
XLogP0.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-pent-4-yn-2-ylpropanamide 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-pent-4-yn-2-yl-2-propan-2-yloxyacetamide
CID 115661966
2-(tert-butylamino)-N-pent-4-yn-2-ylacetamide
CID 115662005
N-pent-4-yn-2-ylcyclopentanecarboxamide
CID 115661776
2-(2-hydroxyphenyl)-N-pent-4-yn-2-ylacetamide
CID 115665144
3-cyclopentyl-N-pent-4-yn-2-ylpropanamide
CID 115662074
2-(4-cyanophenyl)-N-pent-4-yn-2-ylacetamide
CID 113245290
N-pent-4-yn-2-ylcyclopent-3-ene-1-carboxamide
CID 115661767
1-(1-methylcyclopropyl)-3-pent-4-yn-2-ylurea
CID 131207081
(2R)-3-methyl-2-(pent-4-yn-2-ylcarbamoylamino)butanoic acid
CID 104864351
N-pent-4-yn-2-ylazepane-1-carboxamide
CID 115667497
N-dodecan-2-ylpropanamide
CID 174988669
N-[5-(diethylamino)pentan-2-yl]propanamide
CID 60707685

Frequently Asked Questions

What is the IUPAC name of N-pent-4-yn-2-ylpropanamide?
The IUPAC name of N-pent-4-yn-2-ylpropanamide (CID 115661827) is N-pent-4-yn-2-ylpropanamide.
What is the SMILES notation for N-pent-4-yn-2-ylpropanamide?
The canonical SMILES for N-pent-4-yn-2-ylpropanamide is C#CCC(C)NC(=O)CC.
What is the InChIKey of N-pent-4-yn-2-ylpropanamide?
The InChIKey is CSRZBUZNKVULKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-4-6-7(3)9-8(10)5-2/h1,7H,5-6H2,2-3H3,(H,9,10).
What are the key properties of N-pent-4-yn-2-ylpropanamide?
N-pent-4-yn-2-ylpropanamide has a molecular weight of 139.20 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-yn-2-ylpropanamide is sourced from PubChem (CID 115661827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).