2-(oct-7-en-4-ylamino)-N-propan-2-ylacetamide

C13H26N2O — CID 115707624

IUPAC2-(oct-7-en-4-ylamino)-N-propan-2-ylacetamide
SMILESC=CCCC(CCC)NCC(=O)NC(C)C
InChIInChI=1S/C13H26N2O/c1-5-7-9-12(8-6-2)14-10-13(16)15-11(3)4/h5,11-12,14H,1,6-10H2,2-4H3,(H,15,16)
InChIKeyOIQGPDXWVWKCNJ-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.24
Rot. Bonds9

About 2-(oct-7-en-4-ylamino)-N-propan-2-ylacetamide

2-(oct-7-en-4-ylamino)-N-propan-2-ylacetamide (PubChem CID 115707624) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(oct-7-en-4-ylamino)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(oct-7-en-4-ylamino)-N-propan-2-ylacetamide
PubChem CID115707624
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-(oct-7-en-4-ylamino)-N-propan-2-ylacetamide
SMILESC=CCCC(CCC)NCC(=O)NC(C)C
InChIInChI=1S/C13H26N2O/c1-5-7-9-12(8-6-2)14-10-13(16)15-11(3)4/h5,11-12,14H,1,6-10H2,2-4H3,(H,15,16)
InChIKeyOIQGPDXWVWKCNJ-UHFFFAOYSA-N
XLogP2.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(oct-7-en-4-ylamino)-N-propan-2-ylacetamide 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-(octan-4-ylamino)-N-propan-2-ylacetamide
CID 103776277
2-(pentan-2-ylamino)-N-propan-2-ylacetamide
CID 43179512
2-(hept-6-en-3-ylamino)-N-propylacetamide
CID 115707124
2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-pentan-2-ylpropanamide
CID 43420332
N-(cyclopropylmethyl)-2-(hept-6-en-3-ylamino)acetamide
CID 115976246
2-[(3-amino-1,2-dihydroxyhexyl)amino]-N-propan-2-ylacetamide
CID 21016265
1-methoxy-3-(oct-7-en-4-ylamino)propan-2-ol
CID 115721276
1-(dimethylamino)-3-(oct-7-en-4-ylamino)propan-2-ol
CID 115718086
2-(hexan-3-ylamino)-N-(1-methoxypropan-2-yl)acetamide
CID 62118570
N-heptan-2-ylhept-6-enamide
CID 166754138
methyl N-hept-6-en-3-ylcarbamate
CID 176564834
N-(pyridin-3-ylmethyl)oct-7-en-4-amine
CID 115704900

Frequently Asked Questions

What is the IUPAC name of 2-(oct-7-en-4-ylamino)-N-propan-2-ylacetamide?
The IUPAC name of 2-(oct-7-en-4-ylamino)-N-propan-2-ylacetamide (CID 115707624) is 2-(oct-7-en-4-ylamino)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(oct-7-en-4-ylamino)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(oct-7-en-4-ylamino)-N-propan-2-ylacetamide is C=CCCC(CCC)NCC(=O)NC(C)C.
What is the InChIKey of 2-(oct-7-en-4-ylamino)-N-propan-2-ylacetamide?
The InChIKey is OIQGPDXWVWKCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-7-9-12(8-6-2)14-10-13(16)15-11(3)4/h5,11-12,14H,1,6-10H2,2-4H3,(H,15,16).
What are the key properties of 2-(oct-7-en-4-ylamino)-N-propan-2-ylacetamide?
2-(oct-7-en-4-ylamino)-N-propan-2-ylacetamide has a molecular weight of 226.36 g/mol, XLogP of 2.24, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oct-7-en-4-ylamino)-N-propan-2-ylacetamide is sourced from PubChem (CID 115707624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).