N-[3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)phenyl]-2-methoxybenzamide

C25H21NO7 — CID 142727288

IUPACN-[3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)c1
InChIInChI=1S/C25H21NO7/c1-30-18-10-5-4-9-16(18)25(29)26-15-8-6-7-14(11-15)19-12-17(27)22-20(33-19)13-21(31-2)24(32-3)23(22)28/h4-13,28H,1-3H3,(H,26,29)
InChIKeyZZVWZUDVCVWWAO-UHFFFAOYSA-N
MW447.44 g/mol
LogP4.44
Rot. Bonds6

About N-[3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)phenyl]-2-methoxybenzamide

N-[3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)phenyl]-2-methoxybenzamide (PubChem CID 142727288) has the molecular formula C25H21NO7 and a molecular weight of 447.44 g/mol. Its IUPAC name is N-[3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)phenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)phenyl]-2-methoxybenzamide
PubChem CID142727288
Molecular FormulaC25H21NO7
Molecular Weight447.44 g/mol
Exact Mass447.13
IUPAC NameN-[3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)c1
InChIInChI=1S/C25H21NO7/c1-30-18-10-5-4-9-16(18)25(29)26-15-8-6-7-14(11-15)19-12-17(27)22-20(33-19)13-21(31-2)24(32-3)23(22)28/h4-13,28H,1-3H3,(H,26,29)
InChIKeyZZVWZUDVCVWWAO-UHFFFAOYSA-N
XLogP4.44
TPSA107.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.44
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 25017511
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CID 692750
2-[4-methoxy-3-[2-[[(1S)-1-phenylethyl]carbamoyl]-4-(propanoylamino)phenoxy]phenyl]acetic acid
CID 56834987
3,4,5-trimethoxy-N-[2-(3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]benzamide
CID 166626774
2,4,5-trimethoxy-N-(1-naphthyl)benzamide
CID 837977
N-(3-ethylphenyl)-3,4,5-trimethoxybenzamide
CID 897201
N-(4-benzoylphenyl)-2,4,5-trimethoxybenzamide
CID 1020050
(2-Oxo-1,2-dihydroquinolin-3-yl)methyl 3,4,5-trimethoxybenzoate
CID 664503
3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 142727293
2-methoxy-N-[4-(5,6,7-trimethoxy-4-oxochromen-2-yl)phenyl]benzamide
CID 142727316
5,7-Dihydroxy-2-[4-(4-methylpiperazin-1-yl)phenyl]-8-propan-2-yloxychromen-4-one
CID 155301364
5,7-Dihydroxy-2-(4-piperazin-1-ylphenyl)-8-propan-2-yloxychromen-4-one
CID 155301374

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)phenyl]-2-methoxybenzamide?
The IUPAC name of N-[3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)phenyl]-2-methoxybenzamide (CID 142727288) is N-[3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)phenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)phenyl]-2-methoxybenzamide?
The canonical SMILES for N-[3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)phenyl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1cccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)c1.
What is the InChIKey of N-[3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)phenyl]-2-methoxybenzamide?
The InChIKey is ZZVWZUDVCVWWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO7/c1-30-18-10-5-4-9-16(18)25(29)26-15-8-6-7-14(11-15)19-12-17(27)22-20(33-19)13-21(31-2)24(32-3)23(22)28/h4-13,28H,1-3H3,(H,26,29).
What are the key properties of N-[3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)phenyl]-2-methoxybenzamide?
N-[3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)phenyl]-2-methoxybenzamide has a molecular weight of 447.44 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)phenyl]-2-methoxybenzamide is sourced from PubChem (CID 142727288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).