4-(3,4-dihydro-2H-pyran-6-yl)-N-methoxy-N-methylbenzamide

C14H17NO3 — CID 73332951

IUPAC4-(3,4-dihydro-2H-pyran-6-yl)-N-methoxy-N-methylbenzamide
SMILESCON(C)C(=O)c1ccc(C2=CCCCO2)cc1
InChIInChI=1S/C14H17NO3/c1-15(17-2)14(16)12-8-6-11(7-9-12)13-5-3-4-10-18-13/h5-9H,3-4,10H2,1-2H3
InChIKeyYIQHVDZIUXTPJB-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.47
Rot. Bonds3

About 4-(3,4-dihydro-2H-pyran-6-yl)-N-methoxy-N-methylbenzamide

4-(3,4-dihydro-2H-pyran-6-yl)-N-methoxy-N-methylbenzamide (PubChem CID 73332951) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-pyran-6-yl)-N-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-pyran-6-yl)-N-methoxy-N-methylbenzamide
PubChem CID73332951
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name4-(3,4-dihydro-2H-pyran-6-yl)-N-methoxy-N-methylbenzamide
SMILESCON(C)C(=O)c1ccc(C2=CCCCO2)cc1
InChIInChI=1S/C14H17NO3/c1-15(17-2)14(16)12-8-6-11(7-9-12)13-5-3-4-10-18-13/h5-9H,3-4,10H2,1-2H3
InChIKeyYIQHVDZIUXTPJB-UHFFFAOYSA-N
XLogP2.47
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-pyran-6-yl)-N-methoxy-N-methylbenzamide?
The IUPAC name of 4-(3,4-dihydro-2H-pyran-6-yl)-N-methoxy-N-methylbenzamide (CID 73332951) is 4-(3,4-dihydro-2H-pyran-6-yl)-N-methoxy-N-methylbenzamide.
What is the SMILES notation for 4-(3,4-dihydro-2H-pyran-6-yl)-N-methoxy-N-methylbenzamide?
The canonical SMILES for 4-(3,4-dihydro-2H-pyran-6-yl)-N-methoxy-N-methylbenzamide is CON(C)C(=O)c1ccc(C2=CCCCO2)cc1.
What is the InChIKey of 4-(3,4-dihydro-2H-pyran-6-yl)-N-methoxy-N-methylbenzamide?
The InChIKey is YIQHVDZIUXTPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-15(17-2)14(16)12-8-6-11(7-9-12)13-5-3-4-10-18-13/h5-9H,3-4,10H2,1-2H3.
What are the key properties of 4-(3,4-dihydro-2H-pyran-6-yl)-N-methoxy-N-methylbenzamide?
4-(3,4-dihydro-2H-pyran-6-yl)-N-methoxy-N-methylbenzamide has a molecular weight of 247.29 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-pyran-6-yl)-N-methoxy-N-methylbenzamide is sourced from PubChem (CID 73332951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).