N-[[2-(methoxymethyl)phenyl]methyl]-N-[1-(oxolan-3-yl)propan-2-yl]prop-2-enamide

C19H27NO3 — CID 166424305

IUPACN-[[2-(methoxymethyl)phenyl]methyl]-N-[1-(oxolan-3-yl)propan-2-yl]prop-2-enamide
SMILESC=CC(=O)N(Cc1ccccc1COC)C(C)CC1CCOC1
InChIInChI=1S/C19H27NO3/c1-4-19(21)20(15(2)11-16-9-10-23-13-16)12-17-7-5-6-8-18(17)14-22-3/h4-8,15-16H,1,9-14H2,2-3H3
InChIKeyXOGGYELXLMPEOL-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.16
Rot. Bonds8

About N-[[2-(methoxymethyl)phenyl]methyl]-N-[1-(oxolan-3-yl)propan-2-yl]prop-2-enamide

N-[[2-(methoxymethyl)phenyl]methyl]-N-[1-(oxolan-3-yl)propan-2-yl]prop-2-enamide (PubChem CID 166424305) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)phenyl]methyl]-N-[1-(oxolan-3-yl)propan-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)phenyl]methyl]-N-[1-(oxolan-3-yl)propan-2-yl]prop-2-enamide
PubChem CID166424305
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC NameN-[[2-(methoxymethyl)phenyl]methyl]-N-[1-(oxolan-3-yl)propan-2-yl]prop-2-enamide
SMILESC=CC(=O)N(Cc1ccccc1COC)C(C)CC1CCOC1
InChIInChI=1S/C19H27NO3/c1-4-19(21)20(15(2)11-16-9-10-23-13-16)12-17-7-5-6-8-18(17)14-22-3/h4-8,15-16H,1,9-14H2,2-3H3
InChIKeyXOGGYELXLMPEOL-UHFFFAOYSA-N
XLogP3.16
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-N-[1-(oxolan-3-yl)propan-2-yl]prop-2-enamide?
The IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-N-[1-(oxolan-3-yl)propan-2-yl]prop-2-enamide (CID 166424305) is N-[[2-(methoxymethyl)phenyl]methyl]-N-[1-(oxolan-3-yl)propan-2-yl]prop-2-enamide.
What is the SMILES notation for N-[[2-(methoxymethyl)phenyl]methyl]-N-[1-(oxolan-3-yl)propan-2-yl]prop-2-enamide?
The canonical SMILES for N-[[2-(methoxymethyl)phenyl]methyl]-N-[1-(oxolan-3-yl)propan-2-yl]prop-2-enamide is C=CC(=O)N(Cc1ccccc1COC)C(C)CC1CCOC1.
What is the InChIKey of N-[[2-(methoxymethyl)phenyl]methyl]-N-[1-(oxolan-3-yl)propan-2-yl]prop-2-enamide?
The InChIKey is XOGGYELXLMPEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-4-19(21)20(15(2)11-16-9-10-23-13-16)12-17-7-5-6-8-18(17)14-22-3/h4-8,15-16H,1,9-14H2,2-3H3.
What are the key properties of N-[[2-(methoxymethyl)phenyl]methyl]-N-[1-(oxolan-3-yl)propan-2-yl]prop-2-enamide?
N-[[2-(methoxymethyl)phenyl]methyl]-N-[1-(oxolan-3-yl)propan-2-yl]prop-2-enamide has a molecular weight of 317.43 g/mol, XLogP of 3.16, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)phenyl]methyl]-N-[1-(oxolan-3-yl)propan-2-yl]prop-2-enamide is sourced from PubChem (CID 166424305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).