N-[2-hydroxy-3-[2-[2-hydroxy-3-(prop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide

C14H24N2O6 — CID 88530636

IUPACN-[2-hydroxy-3-[2-[2-hydroxy-3-(prop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide
SMILESC=CC(=O)NCC(O)COCCOCC(O)CNC(=O)C=C
InChIInChI=1S/C14H24N2O6/c1-3-13(19)15-7-11(17)9-21-5-6-22-10-12(18)8-16-14(20)4-2/h3-4,11-12,17-18H,1-2,5-10H2,(H,15,19)(H,16,20)
InChIKeyUYQHSDRRUUWHEH-UHFFFAOYSA-N
MW316.35 g/mol
LogP-1.65
Rot. Bonds13

About N-[2-hydroxy-3-[2-[2-hydroxy-3-(prop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide

N-[2-hydroxy-3-[2-[2-hydroxy-3-(prop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide (PubChem CID 88530636) has the molecular formula C14H24N2O6 and a molecular weight of 316.35 g/mol. Its IUPAC name is N-[2-hydroxy-3-[2-[2-hydroxy-3-(prop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-[2-[2-hydroxy-3-(prop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide
PubChem CID88530636
Molecular FormulaC14H24N2O6
Molecular Weight316.35 g/mol
Exact Mass316.16
IUPAC NameN-[2-hydroxy-3-[2-[2-hydroxy-3-(prop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide
SMILESC=CC(=O)NCC(O)COCCOCC(O)CNC(=O)C=C
InChIInChI=1S/C14H24N2O6/c1-3-13(19)15-7-11(17)9-21-5-6-22-10-12(18)8-16-14(20)4-2/h3-4,11-12,17-18H,1-2,5-10H2,(H,15,19)(H,16,20)
InChIKeyUYQHSDRRUUWHEH-UHFFFAOYSA-N
XLogP-1.65
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 5-1.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-[2-hydroxy-3-[4-(2-hydroxy-5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide
CID 58402357
N-[2,10-dihydroxy-6,6-bis[[2-hydroxy-3-(prop-2-enoylamino)propoxy]methyl]-11-(prop-2-enoylamino)undecyl]prop-2-enamide
CID 90321049
N-[2-hydroxy-3-[3-(2-hydroxy-5-oxohept-6-enoxy)-2,2-bis[(2-hydroxy-5-oxohept-6-enoxy)methyl]propoxy]propyl]prop-2-enamide
CID 58444874
N-(3-amino-2-hydroxypropyl)prop-2-enamide
CID 130759182
N-(2,2-dihydroxyethyl)prop-2-enamide
CID 22929468
N-[2-hydroxy-3-[2-[(2-hydroxy-5-oxohept-6-enoxy)methyl]-2-[[2-hydroxy-3-(prop-2-enoylamino)propoxy]methyl]butoxy]propyl]prop-2-enamide
CID 58402367
N-(2-hydroxy-4,4-dimethylpentyl)prop-2-enamide
CID 107151804
N-[2-hydroxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 87314754
N-[3-[4-[3-[butyl(dimethyl)silyl]pentan-3-yloxy-dimethylsilyl]-4-methylhexoxy]-2-hydroxypropyl]prop-2-enamide
CID 123542524
N-(3-butoxy-2-hydroxypropyl)acetamide
CID 45119319
N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]prop-2-enamide
CID 146107030
N-[2-methoxy-3-(prop-2-enoylamino)propyl]prop-2-enamide
CID 129044196

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-[2-[2-hydroxy-3-(prop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide?
The IUPAC name of N-[2-hydroxy-3-[2-[2-hydroxy-3-(prop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide (CID 88530636) is N-[2-hydroxy-3-[2-[2-hydroxy-3-(prop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide.
What is the SMILES notation for N-[2-hydroxy-3-[2-[2-hydroxy-3-(prop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide?
The canonical SMILES for N-[2-hydroxy-3-[2-[2-hydroxy-3-(prop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide is C=CC(=O)NCC(O)COCCOCC(O)CNC(=O)C=C.
What is the InChIKey of N-[2-hydroxy-3-[2-[2-hydroxy-3-(prop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide?
The InChIKey is UYQHSDRRUUWHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O6/c1-3-13(19)15-7-11(17)9-21-5-6-22-10-12(18)8-16-14(20)4-2/h3-4,11-12,17-18H,1-2,5-10H2,(H,15,19)(H,16,20).
What are the key properties of N-[2-hydroxy-3-[2-[2-hydroxy-3-(prop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide?
N-[2-hydroxy-3-[2-[2-hydroxy-3-(prop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide has a molecular weight of 316.35 g/mol, XLogP of -1.65, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-[2-[2-hydroxy-3-(prop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide is sourced from PubChem (CID 88530636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).