N-(1-methoxyhexan-2-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide

C19H28N2O4 — CID 155948497

IUPACN-(1-methoxyhexan-2-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCCCCC(COC)NC(=O)C1OCC(=O)N(C)C1c1ccccc1
InChIInChI=1S/C19H28N2O4/c1-4-5-11-15(12-24-3)20-19(23)18-17(14-9-7-6-8-10-14)21(2)16(22)13-25-18/h6-10,15,17-18H,4-5,11-13H2,1-3H3,(H,20,23)
InChIKeyOZHDHVDIDMCPKH-UHFFFAOYSA-N
MW348.44 g/mol
LogP1.91
Rot. Bonds8

About N-(1-methoxyhexan-2-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide

N-(1-methoxyhexan-2-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide (PubChem CID 155948497) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is N-(1-methoxyhexan-2-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-(1-methoxyhexan-2-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
PubChem CID155948497
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC NameN-(1-methoxyhexan-2-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCCCCC(COC)NC(=O)C1OCC(=O)N(C)C1c1ccccc1
InChIInChI=1S/C19H28N2O4/c1-4-5-11-15(12-24-3)20-19(23)18-17(14-9-7-6-8-10-14)21(2)16(22)13-25-18/h6-10,15,17-18H,4-5,11-13H2,1-3H3,(H,20,23)
InChIKeyOZHDHVDIDMCPKH-UHFFFAOYSA-N
XLogP1.91
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxyhexan-2-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The IUPAC name of N-(1-methoxyhexan-2-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide (CID 155948497) is N-(1-methoxyhexan-2-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide.
What is the SMILES notation for N-(1-methoxyhexan-2-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The canonical SMILES for N-(1-methoxyhexan-2-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide is CCCCC(COC)NC(=O)C1OCC(=O)N(C)C1c1ccccc1.
What is the InChIKey of N-(1-methoxyhexan-2-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The InChIKey is OZHDHVDIDMCPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-4-5-11-15(12-24-3)20-19(23)18-17(14-9-7-6-8-10-14)21(2)16(22)13-25-18/h6-10,15,17-18H,4-5,11-13H2,1-3H3,(H,20,23).
What are the key properties of N-(1-methoxyhexan-2-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
N-(1-methoxyhexan-2-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide has a molecular weight of 348.44 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxyhexan-2-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide is sourced from PubChem (CID 155948497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).