N-[4-(tert-butylcarbamoyl)phenyl]-9H-xanthene-9-carboxamide

C25H24N2O3 — CID 46540225

IUPACN-[4-(tert-butylcarbamoyl)phenyl]-9H-xanthene-9-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C25H24N2O3/c1-25(2,3)27-23(28)16-12-14-17(15-13-16)26-24(29)22-18-8-4-6-10-20(18)30-21-11-7-5-9-19(21)22/h4-15,22H,1-3H3,(H,26,29)(H,27,28)
InChIKeyVIUUHCMITRROAG-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.09
Rot. Bonds3

About N-[4-(tert-butylcarbamoyl)phenyl]-9H-xanthene-9-carboxamide

N-[4-(tert-butylcarbamoyl)phenyl]-9H-xanthene-9-carboxamide (PubChem CID 46540225) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[4-(tert-butylcarbamoyl)phenyl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[4-(tert-butylcarbamoyl)phenyl]-9H-xanthene-9-carboxamide
PubChem CID46540225
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC NameN-[4-(tert-butylcarbamoyl)phenyl]-9H-xanthene-9-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C25H24N2O3/c1-25(2,3)27-23(28)16-12-14-17(15-13-16)26-24(29)22-18-8-4-6-10-20(18)30-21-11-7-5-9-19(21)22/h4-15,22H,1-3H3,(H,26,29)(H,27,28)
InChIKeyVIUUHCMITRROAG-UHFFFAOYSA-N
XLogP5.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[4-(9H-xanthene-9-carbonylamino)phenyl]carbamate
CID 71893111
N-(4-anilinophenyl)-9H-xanthene-9-carboxamide
CID 4104080
N-(4-propan-2-ylphenyl)-9H-xanthene-9-carboxamide
CID 743802
N-[4-(pyrrolidine-1-carbonyl)phenyl]-9H-xanthene-9-carboxamide
CID 55538263
N-tert-butyldibenzo-p-dioxin-2-carboxamide
CID 101091917
N-[4-(cyanomethyl)phenyl]-9H-xanthene-9-carboxamide
CID 9193770
N-[4-(difluoromethoxy)phenyl]-9H-xanthene-9-carboxamide
CID 7941261
N-[4-chloro-3-(trifluoromethyl)phenyl]-9H-xanthene-9-carboxamide
CID 3949340
N'-(4-fluorobenzoyl)-9H-xanthene-9-carbohydrazide
CID 4687348
N-(3-methoxyphenyl)-9H-xanthene-9-carboxamide
CID 669610
N-(2-methyl-4-pyridinyl)-9H-xanthene-9-carboxamide
CID 112773465
N-(3,4,5-trimethoxyphenyl)-9H-xanthene-9-carboxamide
CID 2987222

Frequently Asked Questions

What is the IUPAC name of N-[4-(tert-butylcarbamoyl)phenyl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[4-(tert-butylcarbamoyl)phenyl]-9H-xanthene-9-carboxamide (CID 46540225) is N-[4-(tert-butylcarbamoyl)phenyl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[4-(tert-butylcarbamoyl)phenyl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[4-(tert-butylcarbamoyl)phenyl]-9H-xanthene-9-carboxamide is CC(C)(C)NC(=O)c1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of N-[4-(tert-butylcarbamoyl)phenyl]-9H-xanthene-9-carboxamide?
The InChIKey is VIUUHCMITRROAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-25(2,3)27-23(28)16-12-14-17(15-13-16)26-24(29)22-18-8-4-6-10-20(18)30-21-11-7-5-9-19(21)22/h4-15,22H,1-3H3,(H,26,29)(H,27,28).
What are the key properties of N-[4-(tert-butylcarbamoyl)phenyl]-9H-xanthene-9-carboxamide?
N-[4-(tert-butylcarbamoyl)phenyl]-9H-xanthene-9-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 5.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(tert-butylcarbamoyl)phenyl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 46540225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).