N-(3-morpholin-4-ylpropyl)pent-4-enamide

C12H22N2O2 — CID 70244904

IUPACN-(3-morpholin-4-ylpropyl)pent-4-enamide
SMILESC=CCCC(=O)NCCCN1CCOCC1
InChIInChI=1S/C12H22N2O2/c1-2-3-5-12(15)13-6-4-7-14-8-10-16-11-9-14/h2H,1,3-11H2,(H,13,15)
InChIKeyDZXWTNZDMJBRHU-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.79
Rot. Bonds7

About N-(3-morpholin-4-ylpropyl)pent-4-enamide

N-(3-morpholin-4-ylpropyl)pent-4-enamide (PubChem CID 70244904) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)pent-4-enamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)pent-4-enamide
PubChem CID70244904
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-(3-morpholin-4-ylpropyl)pent-4-enamide
SMILESC=CCCC(=O)NCCCN1CCOCC1
InChIInChI=1S/C12H22N2O2/c1-2-3-5-12(15)13-6-4-7-14-8-10-16-11-9-14/h2H,1,3-11H2,(H,13,15)
InChIKeyDZXWTNZDMJBRHU-UHFFFAOYSA-N
XLogP0.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-(3-piperazin-1-ylpropyl)pent-4-enamide
CID 62679296
5-hydroxy-N-(3-morpholin-4-ylpropyl)pentanamide
CID 79199883
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
N-(3-morpholin-4-ylpropyl)butanamide
CID 4162480
1-ethenyl-3-(3-morpholin-4-ylpropyl)urea
CID 108909151
2-bromo-N-(3-morpholin-4-ylpropyl)acetamide
CID 52984035
N-(3-morpholin-4-ylpropyl)octadecanamide;phosphoric acid
CID 172692510
4-oct-7-enylmorpholine
CID 67850758
3,3-dimethyl-N-(3-morpholin-4-ylpropyl)butanamide
CID 2225348
N-(2-morpholin-4-ylethyl)pentanamide;sulfuric acid
CID 162122494
6-amino-N-(2-morpholin-4-ylethyl)hexanamide
CID 24707853
2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid
CID 43444981

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)pent-4-enamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)pent-4-enamide (CID 70244904) is N-(3-morpholin-4-ylpropyl)pent-4-enamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)pent-4-enamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)pent-4-enamide is C=CCCC(=O)NCCCN1CCOCC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)pent-4-enamide?
The InChIKey is DZXWTNZDMJBRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-3-5-12(15)13-6-4-7-14-8-10-16-11-9-14/h2H,1,3-11H2,(H,13,15).
What are the key properties of N-(3-morpholin-4-ylpropyl)pent-4-enamide?
N-(3-morpholin-4-ylpropyl)pent-4-enamide has a molecular weight of 226.32 g/mol, XLogP of 0.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)pent-4-enamide is sourced from PubChem (CID 70244904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).