N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide

C11H15NO3 — CID 3621307

IUPACN-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide
SMILESCC(CO)(CO)NC(=O)c1ccccc1
InChIInChI=1S/C11H15NO3/c1-11(7-13,8-14)12-10(15)9-5-3-2-4-6-9/h2-6,13-14H,7-8H2,1H3,(H,12,15)
InChIKeyCFLRHSNXFVBUKF-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.16
Rot. Bonds4

About N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide

N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide (PubChem CID 3621307) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide.

Molecular Properties

Compound NameN-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide
PubChem CID3621307
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC NameN-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide
SMILESCC(CO)(CO)NC(=O)c1ccccc1
InChIInChI=1S/C11H15NO3/c1-11(7-13,8-14)12-10(15)9-5-3-2-4-6-9/h2-6,13-14H,7-8H2,1H3,(H,12,15)
InChIKeyCFLRHSNXFVBUKF-UHFFFAOYSA-N
XLogP0.16
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide?
The IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide (CID 3621307) is N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide.
What is the SMILES notation for N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide?
The canonical SMILES for N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide is CC(CO)(CO)NC(=O)c1ccccc1.
What is the InChIKey of N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide?
The InChIKey is CFLRHSNXFVBUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-11(7-13,8-14)12-10(15)9-5-3-2-4-6-9/h2-6,13-14H,7-8H2,1H3,(H,12,15).
What are the key properties of N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide?
N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide has a molecular weight of 209.25 g/mol, XLogP of 0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide is sourced from PubChem (CID 3621307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).