N-tert-butyldibenzo-p-dioxin-2-carboxamide

C17H17NO3 — CID 101091917

IUPACN-tert-butyldibenzo-p-dioxin-2-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc2c(c1)Oc1ccccc1O2
InChIInChI=1S/C17H17NO3/c1-17(2,3)18-16(19)11-8-9-14-15(10-11)21-13-7-5-4-6-12(13)20-14/h4-10H,1-3H3,(H,18,19)
InChIKeyNEPJMWBNIKCWKH-UHFFFAOYSA-N
MW283.33 g/mol
LogP4.11
Rot. Bonds1

About N-tert-butyldibenzo-p-dioxin-2-carboxamide

N-tert-butyldibenzo-p-dioxin-2-carboxamide (PubChem CID 101091917) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-tert-butyldibenzo-p-dioxin-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyldibenzo-p-dioxin-2-carboxamide
PubChem CID101091917
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-tert-butyldibenzo-p-dioxin-2-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc2c(c1)Oc1ccccc1O2
InChIInChI=1S/C17H17NO3/c1-17(2,3)18-16(19)11-8-9-14-15(10-11)21-13-7-5-4-6-12(13)20-14/h4-10H,1-3H3,(H,18,19)
InChIKeyNEPJMWBNIKCWKH-UHFFFAOYSA-N
XLogP4.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-tert-butyldibenzo-p-dioxin-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(tert-butylcarbamoyl)phenyl]-9H-xanthene-9-carboxamide
CID 46540225
N-tert-butyl-1,3-benzoxazole-5-carboxamide
CID 110388151
dibenzo-p-dioxin-2-yl(phenyl)methanone
CID 4613440
N-tert-butyl-2,2-dimethyl-3H-1-benzofuran-6-carboxamide
CID 91824675
N-(2-phenylpropan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 113091743
N-(1,1-diphenylethyl)-1,3-benzodioxole-5-carboxamide
CID 56522895
N-tert-butyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 110683308
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 28639773
N-tert-butyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692342
N-tert-butyl-1-oxo-3H-2-benzofuran-5-carboxamide
CID 11148992
3-amino-N-tert-butyl-4-methylbenzamide
CID 12607979
N-tert-butyl-1H-indole-6-carboxamide
CID 47299645

Frequently Asked Questions

What is the IUPAC name of N-tert-butyldibenzo-p-dioxin-2-carboxamide?
The IUPAC name of N-tert-butyldibenzo-p-dioxin-2-carboxamide (CID 101091917) is N-tert-butyldibenzo-p-dioxin-2-carboxamide.
What is the SMILES notation for N-tert-butyldibenzo-p-dioxin-2-carboxamide?
The canonical SMILES for N-tert-butyldibenzo-p-dioxin-2-carboxamide is CC(C)(C)NC(=O)c1ccc2c(c1)Oc1ccccc1O2.
What is the InChIKey of N-tert-butyldibenzo-p-dioxin-2-carboxamide?
The InChIKey is NEPJMWBNIKCWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-17(2,3)18-16(19)11-8-9-14-15(10-11)21-13-7-5-4-6-12(13)20-14/h4-10H,1-3H3,(H,18,19).
What are the key properties of N-tert-butyldibenzo-p-dioxin-2-carboxamide?
N-tert-butyldibenzo-p-dioxin-2-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyldibenzo-p-dioxin-2-carboxamide is sourced from PubChem (CID 101091917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).