3,4,5-trimethoxy-N-(9-oxoxanthen-3-yl)benzamide

C23H19NO6 — CID 4894452

IUPAC3,4,5-trimethoxy-N-(9-oxoxanthen-3-yl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc3c(=O)c4ccccc4oc3c2)cc(OC)c1OC
InChIInChI=1S/C23H19NO6/c1-27-19-10-13(11-20(28-2)22(19)29-3)23(26)24-14-8-9-16-18(12-14)30-17-7-5-4-6-15(17)21(16)25/h4-12H,1-3H3,(H,24,26)
InChIKeyIAYOTYRBVVHLEO-UHFFFAOYSA-N
MW405.41 g/mol
LogP4.22
Rot. Bonds5

About 3,4,5-trimethoxy-N-(9-oxoxanthen-3-yl)benzamide

3,4,5-trimethoxy-N-(9-oxoxanthen-3-yl)benzamide (PubChem CID 4894452) has the molecular formula C23H19NO6 and a molecular weight of 405.41 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(9-oxoxanthen-3-yl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(9-oxoxanthen-3-yl)benzamide
PubChem CID4894452
Molecular FormulaC23H19NO6
Molecular Weight405.41 g/mol
Exact Mass405.12
IUPAC Name3,4,5-trimethoxy-N-(9-oxoxanthen-3-yl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc3c(=O)c4ccccc4oc3c2)cc(OC)c1OC
InChIInChI=1S/C23H19NO6/c1-27-19-10-13(11-20(28-2)22(19)29-3)23(26)24-14-8-9-16-18(12-14)30-17-7-5-4-6-15(17)21(16)25/h4-12H,1-3H3,(H,24,26)
InChIKeyIAYOTYRBVVHLEO-UHFFFAOYSA-N
XLogP4.22
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(9-oxoxanthen-3-yl)benzamide
CID 23472165
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
N-dibenzofuran-3-yl-3,4-diethoxybenzamide
CID 100535304
N-dibenzofuran-3-yl-3,4-dimethylbenzamide
CID 3259661
3,4,5-trimethoxy-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]benzamide
CID 26773474
3,4,5-trimethoxy-N-(4-phenyldiazenylphenyl)benzamide
CID 3504342
3,4,5-trimethoxy-N-(3-methoxy-4-propan-2-yloxyphenyl)benzamide
CID 26435232
N-dibenzofuran-3-yl-4-phenylbenzamide
CID 3125062
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3,4,5-trimethoxybenzamide
CID 1364043
3,4,5-trimethoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 3445711
ethyl 3-[(3,4,5-trimethoxybenzoyl)amino]-1-benzofuran-2-carboxylate
CID 7117039
N-[4-(benzylamino)-2-oxochromen-3-yl]-3,4,5-trimethoxybenzamide
CID 17252005

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(9-oxoxanthen-3-yl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(9-oxoxanthen-3-yl)benzamide (CID 4894452) is 3,4,5-trimethoxy-N-(9-oxoxanthen-3-yl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(9-oxoxanthen-3-yl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(9-oxoxanthen-3-yl)benzamide is COc1cc(C(=O)Nc2ccc3c(=O)c4ccccc4oc3c2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(9-oxoxanthen-3-yl)benzamide?
The InChIKey is IAYOTYRBVVHLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO6/c1-27-19-10-13(11-20(28-2)22(19)29-3)23(26)24-14-8-9-16-18(12-14)30-17-7-5-4-6-15(17)21(16)25/h4-12H,1-3H3,(H,24,26).
What are the key properties of 3,4,5-trimethoxy-N-(9-oxoxanthen-3-yl)benzamide?
3,4,5-trimethoxy-N-(9-oxoxanthen-3-yl)benzamide has a molecular weight of 405.41 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(9-oxoxanthen-3-yl)benzamide is sourced from PubChem (CID 4894452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).