N-[2-hydroxy-3-[2-(2-hydroxy-5-oxohept-6-enoxy)propoxy]propyl]prop-2-enamide

C16H27NO6 — CID 58402356

IUPACN-[2-hydroxy-3-[2-(2-hydroxy-5-oxohept-6-enoxy)propoxy]propyl]prop-2-enamide
SMILESC=CC(=O)CCC(O)COC(C)COCC(O)CNC(=O)C=C
InChIInChI=1S/C16H27NO6/c1-4-13(18)6-7-14(19)11-23-12(3)9-22-10-15(20)8-17-16(21)5-2/h4-5,12,14-15,19-20H,1-2,6-11H2,3H3,(H,17,21)
InChIKeyXPOMPBWKLKYFPK-UHFFFAOYSA-N
MW329.39 g/mol
LogP-0.03
Rot. Bonds14

About N-[2-hydroxy-3-[2-(2-hydroxy-5-oxohept-6-enoxy)propoxy]propyl]prop-2-enamide

N-[2-hydroxy-3-[2-(2-hydroxy-5-oxohept-6-enoxy)propoxy]propyl]prop-2-enamide (PubChem CID 58402356) has the molecular formula C16H27NO6 and a molecular weight of 329.39 g/mol. Its IUPAC name is N-[2-hydroxy-3-[2-(2-hydroxy-5-oxohept-6-enoxy)propoxy]propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-[2-(2-hydroxy-5-oxohept-6-enoxy)propoxy]propyl]prop-2-enamide
PubChem CID58402356
Molecular FormulaC16H27NO6
Molecular Weight329.39 g/mol
Exact Mass329.18
IUPAC NameN-[2-hydroxy-3-[2-(2-hydroxy-5-oxohept-6-enoxy)propoxy]propyl]prop-2-enamide
SMILESC=CC(=O)CCC(O)COC(C)COCC(O)CNC(=O)C=C
InChIInChI=1S/C16H27NO6/c1-4-13(18)6-7-14(19)11-23-12(3)9-22-10-15(20)8-17-16(21)5-2/h4-5,12,14-15,19-20H,1-2,6-11H2,3H3,(H,17,21)
InChIKeyXPOMPBWKLKYFPK-UHFFFAOYSA-N
XLogP-0.03
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2,2-bis[(2-hydroxy-5-oxohept-6-enoxy)methyl]-3-[2-hydroxy-3-(prop-2-enoylamino)propoxy]propoxy]-2-hydroxypropyl]prop-2-enamide
CID 58402342
N-(2,3-dihydroxy-6-oxooct-7-enyl)prop-2-enamide
CID 58402345
N-[3-[2,3-dihydroxy-4-(5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide
CID 58402353
N-[2-hydroxy-3-[4-(2-hydroxy-5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide
CID 58402357
N-[3-[2-(5-oxohept-6-enoxy)ethoxy]propyl]prop-2-enamide
CID 58402360
N-[2-[2,3-dihydroxy-4-(4-oxohex-5-enoxy)butoxy]ethyl]prop-2-enamide
CID 58402363
N-[2-hydroxy-3-[2-(2-hydroxy-5-oxohept-6-enoxy)ethoxy]propyl]prop-2-enamide
CID 58402366
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-[3-[2,3-bis(2-hydroxy-5-oxohept-6-enoxy)propoxy]-2-hydroxypropyl]prop-2-enamide
CID 58402368
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-[2-hydroxy-3-[3-(2-hydroxy-5-oxohept-6-enoxy)-2-(2-hydroxy-5-oxooctoxy)propoxy]propyl]prop-2-enamide
CID 58444913
N-[2-hydroxy-3-[2-[(2-hydroxy-5-oxohept-6-enoxy)methyl]-3-[2-hydroxy-3-(prop-2-enoylamino)propoxy]-2-[[2-hydroxy-3-(prop-2-enoylamino)propoxy]methyl]propoxy]propyl]prop-2-enamide
CID 88901611

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-[2-(2-hydroxy-5-oxohept-6-enoxy)propoxy]propyl]prop-2-enamide?
The IUPAC name of N-[2-hydroxy-3-[2-(2-hydroxy-5-oxohept-6-enoxy)propoxy]propyl]prop-2-enamide (CID 58402356) is N-[2-hydroxy-3-[2-(2-hydroxy-5-oxohept-6-enoxy)propoxy]propyl]prop-2-enamide.
What is the SMILES notation for N-[2-hydroxy-3-[2-(2-hydroxy-5-oxohept-6-enoxy)propoxy]propyl]prop-2-enamide?
The canonical SMILES for N-[2-hydroxy-3-[2-(2-hydroxy-5-oxohept-6-enoxy)propoxy]propyl]prop-2-enamide is C=CC(=O)CCC(O)COC(C)COCC(O)CNC(=O)C=C.
What is the InChIKey of N-[2-hydroxy-3-[2-(2-hydroxy-5-oxohept-6-enoxy)propoxy]propyl]prop-2-enamide?
The InChIKey is XPOMPBWKLKYFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO6/c1-4-13(18)6-7-14(19)11-23-12(3)9-22-10-15(20)8-17-16(21)5-2/h4-5,12,14-15,19-20H,1-2,6-11H2,3H3,(H,17,21).
What are the key properties of N-[2-hydroxy-3-[2-(2-hydroxy-5-oxohept-6-enoxy)propoxy]propyl]prop-2-enamide?
N-[2-hydroxy-3-[2-(2-hydroxy-5-oxohept-6-enoxy)propoxy]propyl]prop-2-enamide has a molecular weight of 329.39 g/mol, XLogP of -0.03, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-[2-(2-hydroxy-5-oxohept-6-enoxy)propoxy]propyl]prop-2-enamide is sourced from PubChem (CID 58402356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).