1-N-tert-butyl-2-N-(2-hydroxyethyl)-2-N-phenylbenzene-1,2-dicarboxamide

C20H24N2O3 — CID 167884570

IUPAC1-N-tert-butyl-2-N-(2-hydroxyethyl)-2-N-phenylbenzene-1,2-dicarboxamide
SMILESCC(C)(C)NC(=O)c1ccccc1C(=O)N(CCO)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-20(2,3)21-18(24)16-11-7-8-12-17(16)19(25)22(13-14-23)15-9-5-4-6-10-15/h4-12,23H,13-14H2,1-3H3,(H,21,24)
InChIKeyGRUKZFMXMXWZGA-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.85
Rot. Bonds5

About 1-N-tert-butyl-2-N-(2-hydroxyethyl)-2-N-phenylbenzene-1,2-dicarboxamide

1-N-tert-butyl-2-N-(2-hydroxyethyl)-2-N-phenylbenzene-1,2-dicarboxamide (PubChem CID 167884570) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-N-tert-butyl-2-N-(2-hydroxyethyl)-2-N-phenylbenzene-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-tert-butyl-2-N-(2-hydroxyethyl)-2-N-phenylbenzene-1,2-dicarboxamide
PubChem CID167884570
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-N-tert-butyl-2-N-(2-hydroxyethyl)-2-N-phenylbenzene-1,2-dicarboxamide
SMILESCC(C)(C)NC(=O)c1ccccc1C(=O)N(CCO)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-20(2,3)21-18(24)16-11-7-8-12-17(16)19(25)22(13-14-23)15-9-5-4-6-10-15/h4-12,23H,13-14H2,1-3H3,(H,21,24)
InChIKeyGRUKZFMXMXWZGA-UHFFFAOYSA-N
XLogP2.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 11344342
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CID 15197823
N-tert-butyl-2-hydroxybenzamide
CID 139189948
methyl 2-(tert-butylcarbamoyl)benzoate
CID 108785469
2-[(1-hydroxy-3-methylpentan-3-yl)carbamoyl]benzoic acid
CID 106167893
1-N,2-N,4-N,5-N-tetratert-butylbenzene-1,2,4,5-tetracarboxamide
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2-(bromomethyl)-N-tert-butylbenzamide
CID 82110404
1-(2-hydroxyethyl)-3-[4-[[2-hydroxyethyl(phenyl)carbamoyl]amino]phenyl]-1-phenylurea
CID 122416480
1-N,2-N,3-N-tritert-butylbenzene-1,2,3-tricarboxamide
CID 141065547
1-N,2-N-bis(2-hydroxyethyl)-1-N,2-N-dimethylbenzene-1,2-dicarboxamide
CID 54303134
N-tert-butyl-2-fluoropyridine-3-carboxamide
CID 83405548
N-tert-butyl-2-(4-methylphenyl)benzamide
CID 19036093

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-2-N-(2-hydroxyethyl)-2-N-phenylbenzene-1,2-dicarboxamide?
The IUPAC name of 1-N-tert-butyl-2-N-(2-hydroxyethyl)-2-N-phenylbenzene-1,2-dicarboxamide (CID 167884570) is 1-N-tert-butyl-2-N-(2-hydroxyethyl)-2-N-phenylbenzene-1,2-dicarboxamide.
What is the SMILES notation for 1-N-tert-butyl-2-N-(2-hydroxyethyl)-2-N-phenylbenzene-1,2-dicarboxamide?
The canonical SMILES for 1-N-tert-butyl-2-N-(2-hydroxyethyl)-2-N-phenylbenzene-1,2-dicarboxamide is CC(C)(C)NC(=O)c1ccccc1C(=O)N(CCO)c1ccccc1.
What is the InChIKey of 1-N-tert-butyl-2-N-(2-hydroxyethyl)-2-N-phenylbenzene-1,2-dicarboxamide?
The InChIKey is GRUKZFMXMXWZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-20(2,3)21-18(24)16-11-7-8-12-17(16)19(25)22(13-14-23)15-9-5-4-6-10-15/h4-12,23H,13-14H2,1-3H3,(H,21,24).
What are the key properties of 1-N-tert-butyl-2-N-(2-hydroxyethyl)-2-N-phenylbenzene-1,2-dicarboxamide?
1-N-tert-butyl-2-N-(2-hydroxyethyl)-2-N-phenylbenzene-1,2-dicarboxamide has a molecular weight of 340.42 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-2-N-(2-hydroxyethyl)-2-N-phenylbenzene-1,2-dicarboxamide is sourced from PubChem (CID 167884570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).