N-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carboxamide

C22H21NO7 — CID 42317193

IUPACN-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carboxamide
SMILESCOc1cccc(COc2coc(C(=O)Nc3ccc(OC)c(OC)c3)cc2=O)c1
InChIInChI=1S/C22H21NO7/c1-26-16-6-4-5-14(9-16)12-29-21-13-30-20(11-17(21)24)22(25)23-15-7-8-18(27-2)19(10-15)28-3/h4-11,13H,12H2,1-3H3,(H,23,25)
InChIKeyNWMSWICYCNNNSR-UHFFFAOYSA-N
MW411.41 g/mol
LogP3.50
Rot. Bonds8

About N-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carboxamide

N-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carboxamide (PubChem CID 42317193) has the molecular formula C22H21NO7 and a molecular weight of 411.41 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carboxamide
PubChem CID42317193
Molecular FormulaC22H21NO7
Molecular Weight411.41 g/mol
Exact Mass411.13
IUPAC NameN-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carboxamide
SMILESCOc1cccc(COc2coc(C(=O)Nc3ccc(OC)c(OC)c3)cc2=O)c1
InChIInChI=1S/C22H21NO7/c1-26-16-6-4-5-14(9-16)12-29-21-13-30-20(11-17(21)24)22(25)23-15-7-8-18(27-2)19(10-15)28-3/h4-11,13H,12H2,1-3H3,(H,23,25)
InChIKeyNWMSWICYCNNNSR-UHFFFAOYSA-N
XLogP3.50
TPSA96.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(3-methoxyphenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide
CID 42317250
4-oxo-5-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)pyran-2-carboxamide
CID 42227009
5-[(3-methoxyphenyl)methoxy]-N-[(4-methylphenyl)methyl]-4-oxopyran-2-carboxamide
CID 42227339
5-ethoxy-N-[(3-methoxyphenyl)methyl]-4-oxopyran-2-carboxamide
CID 30860274
ethyl 4-[5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carbonyl]piperazine-1-carboxylate
CID 42227317
ethyl 4-[[5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carbonyl]amino]piperidine-1-carboxylate
CID 42317305
N-(4-fluorophenyl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide
CID 42227224
methyl 4-[[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]amino]benzoate
CID 42227239
5-[(3,4-dichlorophenyl)methoxy]-4-oxo-N-pyridin-3-ylpyran-2-carboxamide
CID 45493609
(4-methoxy-3-phenylmethoxyphenyl)carbamic acid
CID 155170089
N-(2-carbamoylphenyl)-4-oxo-5-phenylmethoxypyran-2-carboxamide
CID 42227017
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methoxyphenyl)benzamide
CID 4614010

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carboxamide (CID 42317193) is N-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carboxamide is COc1cccc(COc2coc(C(=O)Nc3ccc(OC)c(OC)c3)cc2=O)c1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carboxamide?
The InChIKey is NWMSWICYCNNNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO7/c1-26-16-6-4-5-14(9-16)12-29-21-13-30-20(11-17(21)24)22(25)23-15-7-8-18(27-2)19(10-15)28-3/h4-11,13H,12H2,1-3H3,(H,23,25).
What are the key properties of N-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carboxamide?
N-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carboxamide has a molecular weight of 411.41 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carboxamide is sourced from PubChem (CID 42317193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).