N-(3,4,5-trimethoxyphenyl)-9H-xanthene-9-carboxamide

C23H21NO5 — CID 2987222

IUPACN-(3,4,5-trimethoxyphenyl)-9H-xanthene-9-carboxamide
SMILESCOc1cc(NC(=O)C2c3ccccc3Oc3ccccc32)cc(OC)c1OC
InChIInChI=1S/C23H21NO5/c1-26-19-12-14(13-20(27-2)22(19)28-3)24-23(25)21-15-8-4-6-10-17(15)29-18-11-7-5-9-16(18)21/h4-13,21H,1-3H3,(H,24,25)
InChIKeyNYCIGRYMJLTDGY-UHFFFAOYSA-N
MW391.42 g/mol
LogP4.59
Rot. Bonds5

About N-(3,4,5-trimethoxyphenyl)-9H-xanthene-9-carboxamide

N-(3,4,5-trimethoxyphenyl)-9H-xanthene-9-carboxamide (PubChem CID 2987222) has the molecular formula C23H21NO5 and a molecular weight of 391.42 g/mol. Its IUPAC name is N-(3,4,5-trimethoxyphenyl)-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-(3,4,5-trimethoxyphenyl)-9H-xanthene-9-carboxamide
PubChem CID2987222
Molecular FormulaC23H21NO5
Molecular Weight391.42 g/mol
Exact Mass391.14
IUPAC NameN-(3,4,5-trimethoxyphenyl)-9H-xanthene-9-carboxamide
SMILESCOc1cc(NC(=O)C2c3ccccc3Oc3ccccc32)cc(OC)c1OC
InChIInChI=1S/C23H21NO5/c1-26-19-12-14(13-20(27-2)22(19)28-3)24-23(25)21-15-8-4-6-10-17(15)29-18-11-7-5-9-16(18)21/h4-13,21H,1-3H3,(H,24,25)
InChIKeyNYCIGRYMJLTDGY-UHFFFAOYSA-N
XLogP4.59
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R)-2-methyl-N-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 41117211
N-(4-anilinophenyl)-9H-xanthene-9-carboxamide
CID 4104080
N-(4-propan-2-ylphenyl)-9H-xanthene-9-carboxamide
CID 743802
N-(2-methyl-4-pyridinyl)-9H-xanthene-9-carboxamide
CID 112773465
N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide
CID 58032966
N-[3-(cyclopropanecarbonylamino)phenyl]-9H-xanthene-9-carboxamide
CID 46568463
ethyl 3-(9H-xanthene-9-carbonylamino)benzoate
CID 1344960
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-9H-xanthene-9-carboxamide
CID 1246375
N-[4-(cyanomethyl)phenyl]-9H-xanthene-9-carboxamide
CID 9193770
N-[4-(difluoromethoxy)phenyl]-9H-xanthene-9-carboxamide
CID 7941261
N-[4-(tert-butylcarbamoyl)phenyl]-9H-xanthene-9-carboxamide
CID 46540225
2-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 7741659

Frequently Asked Questions

What is the IUPAC name of N-(3,4,5-trimethoxyphenyl)-9H-xanthene-9-carboxamide?
The IUPAC name of N-(3,4,5-trimethoxyphenyl)-9H-xanthene-9-carboxamide (CID 2987222) is N-(3,4,5-trimethoxyphenyl)-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-(3,4,5-trimethoxyphenyl)-9H-xanthene-9-carboxamide?
The canonical SMILES for N-(3,4,5-trimethoxyphenyl)-9H-xanthene-9-carboxamide is COc1cc(NC(=O)C2c3ccccc3Oc3ccccc32)cc(OC)c1OC.
What is the InChIKey of N-(3,4,5-trimethoxyphenyl)-9H-xanthene-9-carboxamide?
The InChIKey is NYCIGRYMJLTDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO5/c1-26-19-12-14(13-20(27-2)22(19)28-3)24-23(25)21-15-8-4-6-10-17(15)29-18-11-7-5-9-16(18)21/h4-13,21H,1-3H3,(H,24,25).
What are the key properties of N-(3,4,5-trimethoxyphenyl)-9H-xanthene-9-carboxamide?
N-(3,4,5-trimethoxyphenyl)-9H-xanthene-9-carboxamide has a molecular weight of 391.42 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4,5-trimethoxyphenyl)-9H-xanthene-9-carboxamide is sourced from PubChem (CID 2987222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).