N-[2-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxy-4-oxochromen-6-yl]acetamide

C31H25NO6 — CID 69321477

IUPACN-[2-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxy-4-oxochromen-6-yl]acetamide
SMILESCC(=O)Nc1ccc2oc(-c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)c(O)c(=O)c2c1
InChIInChI=1S/C31H25NO6/c1-20(33)32-24-13-15-26-25(17-24)29(34)30(35)31(38-26)23-12-14-27(36-18-21-8-4-2-5-9-21)28(16-23)37-19-22-10-6-3-7-11-22/h2-17,35H,18-19H2,1H3,(H,32,33)
InChIKeyFGRQAUBOSATDFW-UHFFFAOYSA-N
MW507.54 g/mol
LogP6.28
Rot. Bonds8

About N-[2-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxy-4-oxochromen-6-yl]acetamide

N-[2-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxy-4-oxochromen-6-yl]acetamide (PubChem CID 69321477) has the molecular formula C31H25NO6 and a molecular weight of 507.54 g/mol. Its IUPAC name is N-[2-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxy-4-oxochromen-6-yl]acetamide.

Molecular Properties

Compound NameN-[2-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxy-4-oxochromen-6-yl]acetamide
PubChem CID69321477
Molecular FormulaC31H25NO6
Molecular Weight507.54 g/mol
Exact Mass507.17
IUPAC NameN-[2-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxy-4-oxochromen-6-yl]acetamide
SMILESCC(=O)Nc1ccc2oc(-c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)c(O)c(=O)c2c1
InChIInChI=1S/C31H25NO6/c1-20(33)32-24-13-15-26-25(17-24)29(34)30(35)31(38-26)23-12-14-27(36-18-21-8-4-2-5-9-21)28(16-23)37-19-22-10-6-3-7-11-22/h2-17,35H,18-19H2,1H3,(H,32,33)
InChIKeyFGRQAUBOSATDFW-UHFFFAOYSA-N
XLogP6.28
TPSA98.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.54
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-benzyl-1,3-dioxol-4-yl)-4-oxo-3-phenylmethoxychromen-6-yl]acetamide
CID 66845110
2-[3,4-bis(phenylmethoxy)phenyl]-5-hydroxy-3,7-bis(phenylmethoxy)chromen-4-one
CID 11181398
[2-[3,4-bis(phenylmethoxy)phenyl]-5-hydroxy-4-oxo-7-phenylmethoxychromen-3-yl] methanesulfonate
CID 11607081
2-[3,4-bis(phenylmethoxy)phenyl]-5-hydroxy-7-phenylmethoxy-3-propoxychromen-4-one
CID 145041816
N-(9-oxoxanthen-2-yl)acetamide
CID 72793124
tert-butyl N-[2-(6-methoxy-3-pyridinyl)-4-oxo-3-phenylmethoxychromen-6-yl]carbamate
CID 66845777
2-[3,4-bis(phenylmethoxy)phenyl]-5-hydroxy-3-(2-methylpropoxy)-7-phenylmethoxychromen-4-one
CID 145041831
4-[[2-[4-(dimethylamino)phenyl]-3-hydroxy-4-oxochromen-6-yl]amino]-4-oxobutanoic acid
CID 177453769
N-[(2Z)-2-[[3,4-bis(phenylmethoxy)phenyl]methylidene]-3-oxo-1-benzofuran-5-yl]acetamide
CID 162435988
N-(4-phenylmethoxy-3-propylphenyl)acetamide
CID 57080743
N-[3-methoxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide
CID 15512805
methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[5-(3,5-dihydroxy-4-oxo-7-phenylmethoxychromen-2-yl)-2-phenylmethoxyphenoxy]oxane-2-carboxylate
CID 11571404

Frequently Asked Questions

What is the IUPAC name of N-[2-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxy-4-oxochromen-6-yl]acetamide?
The IUPAC name of N-[2-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxy-4-oxochromen-6-yl]acetamide (CID 69321477) is N-[2-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxy-4-oxochromen-6-yl]acetamide.
What is the SMILES notation for N-[2-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxy-4-oxochromen-6-yl]acetamide?
The canonical SMILES for N-[2-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxy-4-oxochromen-6-yl]acetamide is CC(=O)Nc1ccc2oc(-c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)c(O)c(=O)c2c1.
What is the InChIKey of N-[2-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxy-4-oxochromen-6-yl]acetamide?
The InChIKey is FGRQAUBOSATDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25NO6/c1-20(33)32-24-13-15-26-25(17-24)29(34)30(35)31(38-26)23-12-14-27(36-18-21-8-4-2-5-9-21)28(16-23)37-19-22-10-6-3-7-11-22/h2-17,35H,18-19H2,1H3,(H,32,33).
What are the key properties of N-[2-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxy-4-oxochromen-6-yl]acetamide?
N-[2-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxy-4-oxochromen-6-yl]acetamide has a molecular weight of 507.54 g/mol, XLogP of 6.28, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxy-4-oxochromen-6-yl]acetamide is sourced from PubChem (CID 69321477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).