N-[2-(2-benzyl-1,3-dioxol-4-yl)-4-oxo-3-phenylmethoxychromen-6-yl]acetamide

C28H23NO6 — CID 66845110

IUPACN-[2-(2-benzyl-1,3-dioxol-4-yl)-4-oxo-3-phenylmethoxychromen-6-yl]acetamide
SMILESCC(=O)Nc1ccc2oc(C3=COC(Cc4ccccc4)O3)c(OCc3ccccc3)c(=O)c2c1
InChIInChI=1S/C28H23NO6/c1-18(30)29-21-12-13-23-22(15-21)26(31)28(33-16-20-10-6-3-7-11-20)27(35-23)24-17-32-25(34-24)14-19-8-4-2-5-9-19/h2-13,15,17,25H,14,16H2,1H3,(H,29,30)
InChIKeyOLVVGMDNYJBJCP-UHFFFAOYSA-N
MW469.49 g/mol
LogP5.24
Rot. Bonds7

About N-[2-(2-benzyl-1,3-dioxol-4-yl)-4-oxo-3-phenylmethoxychromen-6-yl]acetamide

N-[2-(2-benzyl-1,3-dioxol-4-yl)-4-oxo-3-phenylmethoxychromen-6-yl]acetamide (PubChem CID 66845110) has the molecular formula C28H23NO6 and a molecular weight of 469.49 g/mol. Its IUPAC name is N-[2-(2-benzyl-1,3-dioxol-4-yl)-4-oxo-3-phenylmethoxychromen-6-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-benzyl-1,3-dioxol-4-yl)-4-oxo-3-phenylmethoxychromen-6-yl]acetamide
PubChem CID66845110
Molecular FormulaC28H23NO6
Molecular Weight469.49 g/mol
Exact Mass469.15
IUPAC NameN-[2-(2-benzyl-1,3-dioxol-4-yl)-4-oxo-3-phenylmethoxychromen-6-yl]acetamide
SMILESCC(=O)Nc1ccc2oc(C3=COC(Cc4ccccc4)O3)c(OCc3ccccc3)c(=O)c2c1
InChIInChI=1S/C28H23NO6/c1-18(30)29-21-12-13-23-22(15-21)26(31)28(33-16-20-10-6-3-7-11-20)27(35-23)24-17-32-25(34-24)14-19-8-4-2-5-9-19/h2-13,15,17,25H,14,16H2,1H3,(H,29,30)
InChIKeyOLVVGMDNYJBJCP-UHFFFAOYSA-N
XLogP5.24
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.49
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-benzyl-1,3-dioxol-4-yl)-6-[(2-ethanimidoylcyclopropyl)amino]-3-phenylmethoxychromen-4-one;hydrochloride
CID 87176963
1-[2-(2-benzyl-1,3-dioxol-4-yl)-3-hydroxy-4-oxochromen-6-yl]-3-(3-cyanophenyl)urea
CID 70155895
N-[2-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxy-4-oxochromen-6-yl]acetamide
CID 69321477
2-(2-benzyl-1,3-dioxol-4-yl)-3-hydroxy-7-methoxychromen-4-one
CID 70154511
tert-butyl N-[2-(6-methoxy-3-pyridinyl)-4-oxo-3-phenylmethoxychromen-6-yl]carbamate
CID 66845777
N-(9-oxoxanthen-2-yl)acetamide
CID 72793124
N'-[2-(2-benzyl-1,3-dioxol-4-yl)-4-oxochromen-6-yl]ethanimidamide;hydrochloride
CID 66845539
6-chloro-2-(5-methylfuran-2-yl)-3-phenylmethoxychromen-4-one
CID 10406627
6-chloro-2-(furan-3-yl)-3-phenylmethoxychromen-4-one
CID 102287336
2-(3-methylphenyl)-3-phenylmethoxychromen-4-one
CID 175470082
6-(2-iminoethylamino)-2-(6-methoxy-3-pyridinyl)-3-phenylmethoxychromen-4-one
CID 87190114
3-[(6-chloro-4-oxo-2-phenylchromen-3-yl)oxymethyl]benzoate
CID 7746624

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-benzyl-1,3-dioxol-4-yl)-4-oxo-3-phenylmethoxychromen-6-yl]acetamide?
The IUPAC name of N-[2-(2-benzyl-1,3-dioxol-4-yl)-4-oxo-3-phenylmethoxychromen-6-yl]acetamide (CID 66845110) is N-[2-(2-benzyl-1,3-dioxol-4-yl)-4-oxo-3-phenylmethoxychromen-6-yl]acetamide.
What is the SMILES notation for N-[2-(2-benzyl-1,3-dioxol-4-yl)-4-oxo-3-phenylmethoxychromen-6-yl]acetamide?
The canonical SMILES for N-[2-(2-benzyl-1,3-dioxol-4-yl)-4-oxo-3-phenylmethoxychromen-6-yl]acetamide is CC(=O)Nc1ccc2oc(C3=COC(Cc4ccccc4)O3)c(OCc3ccccc3)c(=O)c2c1.
What is the InChIKey of N-[2-(2-benzyl-1,3-dioxol-4-yl)-4-oxo-3-phenylmethoxychromen-6-yl]acetamide?
The InChIKey is OLVVGMDNYJBJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23NO6/c1-18(30)29-21-12-13-23-22(15-21)26(31)28(33-16-20-10-6-3-7-11-20)27(35-23)24-17-32-25(34-24)14-19-8-4-2-5-9-19/h2-13,15,17,25H,14,16H2,1H3,(H,29,30).
What are the key properties of N-[2-(2-benzyl-1,3-dioxol-4-yl)-4-oxo-3-phenylmethoxychromen-6-yl]acetamide?
N-[2-(2-benzyl-1,3-dioxol-4-yl)-4-oxo-3-phenylmethoxychromen-6-yl]acetamide has a molecular weight of 469.49 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-benzyl-1,3-dioxol-4-yl)-4-oxo-3-phenylmethoxychromen-6-yl]acetamide is sourced from PubChem (CID 66845110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).