2-N-(1-hydroxy-2-methylpropan-2-yl)-3-phenylbenzene-1,2-dicarboxamide

C18H20N2O3 — CID 141058032

IUPAC2-N-(1-hydroxy-2-methylpropan-2-yl)-3-phenylbenzene-1,2-dicarboxamide
SMILESCC(C)(CO)NC(=O)c1c(C(N)=O)cccc1-c1ccccc1
InChIInChI=1S/C18H20N2O3/c1-18(2,11-21)20-17(23)15-13(12-7-4-3-5-8-12)9-6-10-14(15)16(19)22/h3-10,21H,11H2,1-2H3,(H2,19,22)(H,20,23)
InChIKeySQYPHCNVPGRRSU-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.95
Rot. Bonds5

About 2-N-(1-hydroxy-2-methylpropan-2-yl)-3-phenylbenzene-1,2-dicarboxamide

2-N-(1-hydroxy-2-methylpropan-2-yl)-3-phenylbenzene-1,2-dicarboxamide (PubChem CID 141058032) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-N-(1-hydroxy-2-methylpropan-2-yl)-3-phenylbenzene-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(1-hydroxy-2-methylpropan-2-yl)-3-phenylbenzene-1,2-dicarboxamide
PubChem CID141058032
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name2-N-(1-hydroxy-2-methylpropan-2-yl)-3-phenylbenzene-1,2-dicarboxamide
SMILESCC(C)(CO)NC(=O)c1c(C(N)=O)cccc1-c1ccccc1
InChIInChI=1S/C18H20N2O3/c1-18(2,11-21)20-17(23)15-13(12-7-4-3-5-8-12)9-6-10-14(15)16(19)22/h3-10,21H,11H2,1-2H3,(H2,19,22)(H,20,23)
InChIKeySQYPHCNVPGRRSU-UHFFFAOYSA-N
XLogP1.95
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-hydroxy-2-methylpropan-2-yl)-3-phenylbenzene-1,2-dicarboxamide?
The IUPAC name of 2-N-(1-hydroxy-2-methylpropan-2-yl)-3-phenylbenzene-1,2-dicarboxamide (CID 141058032) is 2-N-(1-hydroxy-2-methylpropan-2-yl)-3-phenylbenzene-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(1-hydroxy-2-methylpropan-2-yl)-3-phenylbenzene-1,2-dicarboxamide?
The canonical SMILES for 2-N-(1-hydroxy-2-methylpropan-2-yl)-3-phenylbenzene-1,2-dicarboxamide is CC(C)(CO)NC(=O)c1c(C(N)=O)cccc1-c1ccccc1.
What is the InChIKey of 2-N-(1-hydroxy-2-methylpropan-2-yl)-3-phenylbenzene-1,2-dicarboxamide?
The InChIKey is SQYPHCNVPGRRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-18(2,11-21)20-17(23)15-13(12-7-4-3-5-8-12)9-6-10-14(15)16(19)22/h3-10,21H,11H2,1-2H3,(H2,19,22)(H,20,23).
What are the key properties of 2-N-(1-hydroxy-2-methylpropan-2-yl)-3-phenylbenzene-1,2-dicarboxamide?
2-N-(1-hydroxy-2-methylpropan-2-yl)-3-phenylbenzene-1,2-dicarboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-hydroxy-2-methylpropan-2-yl)-3-phenylbenzene-1,2-dicarboxamide is sourced from PubChem (CID 141058032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).