N-(oxolan-3-ylmethyl)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-carboxamide

C19H25NO4 — CID 118861760

IUPACN-(oxolan-3-ylmethyl)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-carboxamide
SMILESO=C(NCC1CCOC1)C1=COC(COCc2ccccc2)CC1
InChIInChI=1S/C19H25NO4/c21-19(20-10-16-8-9-22-12-16)17-6-7-18(24-13-17)14-23-11-15-4-2-1-3-5-15/h1-5,13,16,18H,6-12,14H2,(H,20,21)
InChIKeyHLUHGQOMWDKAGZ-UHFFFAOYSA-N
MW331.41 g/mol
LogP2.42
Rot. Bonds7

About N-(oxolan-3-ylmethyl)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-carboxamide

N-(oxolan-3-ylmethyl)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-carboxamide (PubChem CID 118861760) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-carboxamide.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-carboxamide
PubChem CID118861760
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC NameN-(oxolan-3-ylmethyl)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-carboxamide
SMILESO=C(NCC1CCOC1)C1=COC(COCc2ccccc2)CC1
InChIInChI=1S/C19H25NO4/c21-19(20-10-16-8-9-22-12-16)17-6-7-18(24-13-17)14-23-11-15-4-2-1-3-5-15/h1-5,13,16,18H,6-12,14H2,(H,20,21)
InChIKeyHLUHGQOMWDKAGZ-UHFFFAOYSA-N
XLogP2.42
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-carboxamide?
The IUPAC name of N-(oxolan-3-ylmethyl)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-carboxamide (CID 118861760) is N-(oxolan-3-ylmethyl)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-carboxamide.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-carboxamide?
The canonical SMILES for N-(oxolan-3-ylmethyl)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-carboxamide is O=C(NCC1CCOC1)C1=COC(COCc2ccccc2)CC1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-carboxamide?
The InChIKey is HLUHGQOMWDKAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c21-19(20-10-16-8-9-22-12-16)17-6-7-18(24-13-17)14-23-11-15-4-2-1-3-5-15/h1-5,13,16,18H,6-12,14H2,(H,20,21).
What are the key properties of N-(oxolan-3-ylmethyl)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-carboxamide?
N-(oxolan-3-ylmethyl)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-carboxamide has a molecular weight of 331.41 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-carboxamide is sourced from PubChem (CID 118861760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).