N-(4-methoxyphenyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide

C14H17NO3 — CID 171393515

IUPACN-(4-methoxyphenyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCOc1ccc(N(C)C(=O)C2=CCCCO2)cc1
InChIInChI=1S/C14H17NO3/c1-15(11-6-8-12(17-2)9-7-11)14(16)13-5-3-4-10-18-13/h5-9H,3-4,10H2,1-2H3
InChIKeyVAJMLGMVOKZEML-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.35
Rot. Bonds3

About N-(4-methoxyphenyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide

N-(4-methoxyphenyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 171393515) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID171393515
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC NameN-(4-methoxyphenyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCOc1ccc(N(C)C(=O)C2=CCCCO2)cc1
InChIInChI=1S/C14H17NO3/c1-15(11-6-8-12(17-2)9-7-11)14(16)13-5-3-4-10-18-13/h5-9H,3-4,10H2,1-2H3
InChIKeyVAJMLGMVOKZEML-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide (CID 171393515) is N-(4-methoxyphenyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide is COc1ccc(N(C)C(=O)C2=CCCCO2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is VAJMLGMVOKZEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-15(11-6-8-12(17-2)9-7-11)14(16)13-5-3-4-10-18-13/h5-9H,3-4,10H2,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide?
N-(4-methoxyphenyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 247.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 171393515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).