N-[2-[2-[oxan-2-yloxy(phenyl)methyl]-4-oxo-3-phenylmethoxy-1-pyridinyl]ethyl]acetamide

C28H32N2O5 — CID 21474374

IUPACN-[2-[2-[oxan-2-yloxy(phenyl)methyl]-4-oxo-3-phenylmethoxy-1-pyridinyl]ethyl]acetamide
SMILESCC(=O)NCCn1ccc(=O)c(OCc2ccccc2)c1C(OC1CCCCO1)c1ccccc1
InChIInChI=1S/C28H32N2O5/c1-21(31)29-16-18-30-17-15-24(32)28(34-20-22-10-4-2-5-11-22)26(30)27(23-12-6-3-7-13-23)35-25-14-8-9-19-33-25/h2-7,10-13,15,17,25,27H,8-9,14,16,18-20H2,1H3,(H,29,31)
InChIKeyRMFWIROIYBEMFN-UHFFFAOYSA-N
MW476.57 g/mol
LogP4.20
Rot. Bonds10

About N-[2-[2-[oxan-2-yloxy(phenyl)methyl]-4-oxo-3-phenylmethoxy-1-pyridinyl]ethyl]acetamide

N-[2-[2-[oxan-2-yloxy(phenyl)methyl]-4-oxo-3-phenylmethoxy-1-pyridinyl]ethyl]acetamide (PubChem CID 21474374) has the molecular formula C28H32N2O5 and a molecular weight of 476.57 g/mol. Its IUPAC name is N-[2-[2-[oxan-2-yloxy(phenyl)methyl]-4-oxo-3-phenylmethoxy-1-pyridinyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[oxan-2-yloxy(phenyl)methyl]-4-oxo-3-phenylmethoxy-1-pyridinyl]ethyl]acetamide
PubChem CID21474374
Molecular FormulaC28H32N2O5
Molecular Weight476.57 g/mol
Exact Mass476.23
IUPAC NameN-[2-[2-[oxan-2-yloxy(phenyl)methyl]-4-oxo-3-phenylmethoxy-1-pyridinyl]ethyl]acetamide
SMILESCC(=O)NCCn1ccc(=O)c(OCc2ccccc2)c1C(OC1CCCCO1)c1ccccc1
InChIInChI=1S/C28H32N2O5/c1-21(31)29-16-18-30-17-15-24(32)28(34-20-22-10-4-2-5-11-22)26(30)27(23-12-6-3-7-13-23)35-25-14-8-9-19-33-25/h2-7,10-13,15,17,25,27H,8-9,14,16,18-20H2,1H3,(H,29,31)
InChIKeyRMFWIROIYBEMFN-UHFFFAOYSA-N
XLogP4.20
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.57
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-aminoethyl)-2-[oxan-2-yloxy(phenyl)methyl]-3-phenylmethoxypyridin-4-one
CID 21474281
1-(2-hydroxyethyl)-2-[(4-nitrophenyl)-(oxan-2-yloxy)methyl]-3-phenylmethoxypyridin-4-one
CID 21474404
6-[(4-fluorophenyl)-(oxan-2-yloxy)methyl]-4-oxo-5-phenylmethoxypyran-2-carboxylic acid
CID 21474289
6-(oxan-2-yloxymethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide
CID 134575760
benzyl (2S,3S)-2-amino-2-methyl-3-(oxan-2-yloxy)-3-phenylpropanoate
CID 10499333
2-[(4-chlorophenyl)-hydroxymethyl]-1-(2-hydroxyethyl)-3-phenylmethoxypyridin-4-one
CID 21474316
methyl (2S)-2-(oxan-2-yloxy)-3-phenylpropanoate
CID 14804719
1-[1-(2-methoxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]propylcarbamic acid
CID 87289982
(3S)-N-benzyl-4-hydroxy-3-(oxan-2-yloxy)butanamide
CID 139705725
benzyl-[(2R,3R)-1-hydroxy-3-(oxan-2-yloxy)butan-2-yl]carbamic acid
CID 118237094
2-(3-methylbutanoyl)-6-(oxan-2-yloxymethyl)-3-phenylmethoxy-1H-pyridin-4-one
CID 158067897
1-[2-[(2S)-oxan-2-yl]oxyethyl]quinolin-4-one
CID 99837452

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[oxan-2-yloxy(phenyl)methyl]-4-oxo-3-phenylmethoxy-1-pyridinyl]ethyl]acetamide?
The IUPAC name of N-[2-[2-[oxan-2-yloxy(phenyl)methyl]-4-oxo-3-phenylmethoxy-1-pyridinyl]ethyl]acetamide (CID 21474374) is N-[2-[2-[oxan-2-yloxy(phenyl)methyl]-4-oxo-3-phenylmethoxy-1-pyridinyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-[oxan-2-yloxy(phenyl)methyl]-4-oxo-3-phenylmethoxy-1-pyridinyl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-[oxan-2-yloxy(phenyl)methyl]-4-oxo-3-phenylmethoxy-1-pyridinyl]ethyl]acetamide is CC(=O)NCCn1ccc(=O)c(OCc2ccccc2)c1C(OC1CCCCO1)c1ccccc1.
What is the InChIKey of N-[2-[2-[oxan-2-yloxy(phenyl)methyl]-4-oxo-3-phenylmethoxy-1-pyridinyl]ethyl]acetamide?
The InChIKey is RMFWIROIYBEMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O5/c1-21(31)29-16-18-30-17-15-24(32)28(34-20-22-10-4-2-5-11-22)26(30)27(23-12-6-3-7-13-23)35-25-14-8-9-19-33-25/h2-7,10-13,15,17,25,27H,8-9,14,16,18-20H2,1H3,(H,29,31).
What are the key properties of N-[2-[2-[oxan-2-yloxy(phenyl)methyl]-4-oxo-3-phenylmethoxy-1-pyridinyl]ethyl]acetamide?
N-[2-[2-[oxan-2-yloxy(phenyl)methyl]-4-oxo-3-phenylmethoxy-1-pyridinyl]ethyl]acetamide has a molecular weight of 476.57 g/mol, XLogP of 4.20, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[oxan-2-yloxy(phenyl)methyl]-4-oxo-3-phenylmethoxy-1-pyridinyl]ethyl]acetamide is sourced from PubChem (CID 21474374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).