2-(pent-4-en-2-ylamino)-N-pentylpropanamide

C13H26N2O — CID 115632132

IUPAC2-(pent-4-en-2-ylamino)-N-pentylpropanamide
SMILESC=CCC(C)NC(C)C(=O)NCCCCC
InChIInChI=1S/C13H26N2O/c1-5-7-8-10-14-13(16)12(4)15-11(3)9-6-2/h6,11-12,15H,2,5,7-10H2,1,3-4H3,(H,14,16)
InChIKeyIBUOWOZVKNDFEN-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.24
Rot. Bonds9

About 2-(pent-4-en-2-ylamino)-N-pentylpropanamide

2-(pent-4-en-2-ylamino)-N-pentylpropanamide (PubChem CID 115632132) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(pent-4-en-2-ylamino)-N-pentylpropanamide.

Molecular Properties

Compound Name2-(pent-4-en-2-ylamino)-N-pentylpropanamide
PubChem CID115632132
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-(pent-4-en-2-ylamino)-N-pentylpropanamide
SMILESC=CCC(C)NC(C)C(=O)NCCCCC
InChIInChI=1S/C13H26N2O/c1-5-7-8-10-14-13(16)12(4)15-11(3)9-6-2/h6,11-12,15H,2,5,7-10H2,1,3-4H3,(H,14,16)
InChIKeyIBUOWOZVKNDFEN-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(octan-2-ylamino)-N-pentylpropanamide
CID 61476673
N-butyl-2-(heptan-2-ylamino)propanamide
CID 54950626
2-methyl-6-[[1-oxo-1-(pentylamino)propan-2-yl]amino]heptanoic acid
CID 65289301
N-pentyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide
CID 61473930
N-(methylcarbamoyl)-2-(pent-4-en-2-ylamino)propanamide
CID 115632114
2-[[1-(butylamino)-1-oxopropan-2-yl]amino]-N-ethylpropanamide
CID 60722434
N-pent-4-en-2-ylpentan-1-amine;hydrochloride
CID 155386341
N-(3-methylbutyl)-2-(octan-2-ylamino)propanamide
CID 61476708
2-[[1-(butylamino)-1-oxopropan-2-yl]amino]propanoic acid
CID 43467320
N-pentyl-2-(pent-1-yn-3-ylamino)propanamide
CID 103577887
2-[[(1R)-1-cycloheptylethyl]amino]-N-pentylpropanamide
CID 81392391
6-(decylamino)-6-oxohexaneperoxoic acid
CID 159894455

Frequently Asked Questions

What is the IUPAC name of 2-(pent-4-en-2-ylamino)-N-pentylpropanamide?
The IUPAC name of 2-(pent-4-en-2-ylamino)-N-pentylpropanamide (CID 115632132) is 2-(pent-4-en-2-ylamino)-N-pentylpropanamide.
What is the SMILES notation for 2-(pent-4-en-2-ylamino)-N-pentylpropanamide?
The canonical SMILES for 2-(pent-4-en-2-ylamino)-N-pentylpropanamide is C=CCC(C)NC(C)C(=O)NCCCCC.
What is the InChIKey of 2-(pent-4-en-2-ylamino)-N-pentylpropanamide?
The InChIKey is IBUOWOZVKNDFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-7-8-10-14-13(16)12(4)15-11(3)9-6-2/h6,11-12,15H,2,5,7-10H2,1,3-4H3,(H,14,16).
What are the key properties of 2-(pent-4-en-2-ylamino)-N-pentylpropanamide?
2-(pent-4-en-2-ylamino)-N-pentylpropanamide 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-(pent-4-en-2-ylamino)-N-pentylpropanamide is sourced from PubChem (CID 115632132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).