N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-phenoxyacetamide

C27H28N2O6 — CID 78150565

IUPACN-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-phenoxyacetamide
SMILESCOc1ccc(CN2C(=O)COC(c3ccc(NC(=O)COc4ccccc4)cc3)C2CO)cc1
InChIInChI=1S/C27H28N2O6/c1-33-22-13-7-19(8-14-22)15-29-24(16-30)27(35-18-26(29)32)20-9-11-21(12-10-20)28-25(31)17-34-23-5-3-2-4-6-23/h2-14,24,27,30H,15-18H2,1H3,(H,28,31)
InChIKeyNYMWVGZNDXXDJC-UHFFFAOYSA-N
MW476.53 g/mol
LogP3.17
Rot. Bonds9

About N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-phenoxyacetamide

N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-phenoxyacetamide (PubChem CID 78150565) has the molecular formula C27H28N2O6 and a molecular weight of 476.53 g/mol. Its IUPAC name is N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-phenoxyacetamide
PubChem CID78150565
Molecular FormulaC27H28N2O6
Molecular Weight476.53 g/mol
Exact Mass476.19
IUPAC NameN-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-phenoxyacetamide
SMILESCOc1ccc(CN2C(=O)COC(c3ccc(NC(=O)COc4ccccc4)cc3)C2CO)cc1
InChIInChI=1S/C27H28N2O6/c1-33-22-13-7-19(8-14-22)15-29-24(16-30)27(35-18-26(29)32)20-9-11-21(12-10-20)28-25(31)17-34-23-5-3-2-4-6-23/h2-14,24,27,30H,15-18H2,1H3,(H,28,31)
InChIKeyNYMWVGZNDXXDJC-UHFFFAOYSA-N
XLogP3.17
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-phenoxyacetamide (CID 78150565) is N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-phenoxyacetamide is COc1ccc(CN2C(=O)COC(c3ccc(NC(=O)COc4ccccc4)cc3)C2CO)cc1.
What is the InChIKey of N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-phenoxyacetamide?
The InChIKey is NYMWVGZNDXXDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O6/c1-33-22-13-7-19(8-14-22)15-29-24(16-30)27(35-18-26(29)32)20-9-11-21(12-10-20)28-25(31)17-34-23-5-3-2-4-6-23/h2-14,24,27,30H,15-18H2,1H3,(H,28,31).
What are the key properties of N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-phenoxyacetamide?
N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-phenoxyacetamide has a molecular weight of 476.53 g/mol, XLogP of 3.17, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 78150565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).