N-(3-hydroxyprop-2-enyl)-N,2-bis(prop-2-enyl)-1,3-dioxane-2-carboxamide

C14H21NO4 — CID 69279772

IUPACN-(3-hydroxyprop-2-enyl)-N,2-bis(prop-2-enyl)-1,3-dioxane-2-carboxamide
SMILESC=CCN(CC=CO)C(=O)C1(CC=C)OCCCO1
InChIInChI=1S/C14H21NO4/c1-3-7-14(18-11-6-12-19-14)13(17)15(8-4-2)9-5-10-16/h3-5,10,16H,1-2,6-9,11-12H2
InChIKeyOMFBTUBGXNBMHZ-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.78
Rot. Bonds7

About N-(3-hydroxyprop-2-enyl)-N,2-bis(prop-2-enyl)-1,3-dioxane-2-carboxamide

N-(3-hydroxyprop-2-enyl)-N,2-bis(prop-2-enyl)-1,3-dioxane-2-carboxamide (PubChem CID 69279772) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is N-(3-hydroxyprop-2-enyl)-N,2-bis(prop-2-enyl)-1,3-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxyprop-2-enyl)-N,2-bis(prop-2-enyl)-1,3-dioxane-2-carboxamide
PubChem CID69279772
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC NameN-(3-hydroxyprop-2-enyl)-N,2-bis(prop-2-enyl)-1,3-dioxane-2-carboxamide
SMILESC=CCN(CC=CO)C(=O)C1(CC=C)OCCCO1
InChIInChI=1S/C14H21NO4/c1-3-7-14(18-11-6-12-19-14)13(17)15(8-4-2)9-5-10-16/h3-5,10,16H,1-2,6-9,11-12H2
InChIKeyOMFBTUBGXNBMHZ-UHFFFAOYSA-N
XLogP1.78
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyprop-2-enyl)-N,2-bis(prop-2-enyl)-1,3-dioxane-2-carboxamide?
The IUPAC name of N-(3-hydroxyprop-2-enyl)-N,2-bis(prop-2-enyl)-1,3-dioxane-2-carboxamide (CID 69279772) is N-(3-hydroxyprop-2-enyl)-N,2-bis(prop-2-enyl)-1,3-dioxane-2-carboxamide.
What is the SMILES notation for N-(3-hydroxyprop-2-enyl)-N,2-bis(prop-2-enyl)-1,3-dioxane-2-carboxamide?
The canonical SMILES for N-(3-hydroxyprop-2-enyl)-N,2-bis(prop-2-enyl)-1,3-dioxane-2-carboxamide is C=CCN(CC=CO)C(=O)C1(CC=C)OCCCO1.
What is the InChIKey of N-(3-hydroxyprop-2-enyl)-N,2-bis(prop-2-enyl)-1,3-dioxane-2-carboxamide?
The InChIKey is OMFBTUBGXNBMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-3-7-14(18-11-6-12-19-14)13(17)15(8-4-2)9-5-10-16/h3-5,10,16H,1-2,6-9,11-12H2.
What are the key properties of N-(3-hydroxyprop-2-enyl)-N,2-bis(prop-2-enyl)-1,3-dioxane-2-carboxamide?
N-(3-hydroxyprop-2-enyl)-N,2-bis(prop-2-enyl)-1,3-dioxane-2-carboxamide has a molecular weight of 267.32 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyprop-2-enyl)-N,2-bis(prop-2-enyl)-1,3-dioxane-2-carboxamide is sourced from PubChem (CID 69279772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).