N,N-bis(5-hydroxypentyl)prop-2-enamide

C13H25NO3 — CID 87130034

IUPACN,N-bis(5-hydroxypentyl)prop-2-enamide
SMILESC=CC(=O)N(CCCCCO)CCCCCO
InChIInChI=1S/C13H25NO3/c1-2-13(17)14(9-5-3-7-11-15)10-6-4-8-12-16/h2,15-16H,1,3-12H2
InChIKeyJGEKFUTUYDOTKN-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.33
Rot. Bonds11

About N,N-bis(5-hydroxypentyl)prop-2-enamide

N,N-bis(5-hydroxypentyl)prop-2-enamide (PubChem CID 87130034) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N,N-bis(5-hydroxypentyl)prop-2-enamide.

Molecular Properties

Compound NameN,N-bis(5-hydroxypentyl)prop-2-enamide
PubChem CID87130034
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC NameN,N-bis(5-hydroxypentyl)prop-2-enamide
SMILESC=CC(=O)N(CCCCCO)CCCCCO
InChIInChI=1S/C13H25NO3/c1-2-13(17)14(9-5-3-7-11-15)10-6-4-8-12-16/h2,15-16H,1,3-12H2
InChIKeyJGEKFUTUYDOTKN-UHFFFAOYSA-N
XLogP1.33
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(5-hydroxypentyl)-N-prop-2-enylprop-2-enamide
CID 135128737
N,N-bis(2-hydroxyethyl)prop-2-enamide;ethane
CID 176950380
N-[6-[di(prop-2-enoyl)amino]hexyl]-N-prop-2-enoylprop-2-enamide
CID 89189682
N-decyl-N-ethylprop-2-enamide;hydrazine
CID 158315253
N-decyl-N-(2-ethoxyethyl)prop-2-enamide
CID 150859933
N',N'-bis(6-hydroxyhexyl)prop-2-enehydrazide
CID 87129980
N-(5,5-difluoropentyl)-N-propylprop-2-enamide
CID 89357676
N-(8-hydroxyoctyl)-2-methyl-N-prop-2-enylprop-2-enamide
CID 135128662
N-butyl-N-(5,5-difluoropentyl)prop-2-enamide
CID 89352114
N-(3-aminopropyl)-N-propylprop-2-enamide
CID 150203035
6-[ethyl(prop-2-enoyl)amino]hexylphosphonic acid
CID 102525241
N-butyl-N-(4-oxobutyl)prop-2-enamide
CID 90459536

Frequently Asked Questions

What is the IUPAC name of N,N-bis(5-hydroxypentyl)prop-2-enamide?
The IUPAC name of N,N-bis(5-hydroxypentyl)prop-2-enamide (CID 87130034) is N,N-bis(5-hydroxypentyl)prop-2-enamide.
What is the SMILES notation for N,N-bis(5-hydroxypentyl)prop-2-enamide?
The canonical SMILES for N,N-bis(5-hydroxypentyl)prop-2-enamide is C=CC(=O)N(CCCCCO)CCCCCO.
What is the InChIKey of N,N-bis(5-hydroxypentyl)prop-2-enamide?
The InChIKey is JGEKFUTUYDOTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-2-13(17)14(9-5-3-7-11-15)10-6-4-8-12-16/h2,15-16H,1,3-12H2.
What are the key properties of N,N-bis(5-hydroxypentyl)prop-2-enamide?
N,N-bis(5-hydroxypentyl)prop-2-enamide has a molecular weight of 243.35 g/mol, XLogP of 1.33, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(5-hydroxypentyl)prop-2-enamide is sourced from PubChem (CID 87130034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).