2-formamido-4-[(2-methylpropan-2-yl)oxy]benzamide

C12H16N2O3 — CID 175276092

IUPAC2-formamido-4-[(2-methylpropan-2-yl)oxy]benzamide
SMILESCC(C)(C)Oc1ccc(C(N)=O)c(NC=O)c1
InChIInChI=1S/C12H16N2O3/c1-12(2,3)17-8-4-5-9(11(13)16)10(6-8)14-7-15/h4-7H,1-3H3,(H2,13,16)(H,14,15)
InChIKeyXMXOSXRYMRQIIH-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.53
Rot. Bonds4

About 2-formamido-4-[(2-methylpropan-2-yl)oxy]benzamide

2-formamido-4-[(2-methylpropan-2-yl)oxy]benzamide (PubChem CID 175276092) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-formamido-4-[(2-methylpropan-2-yl)oxy]benzamide.

Molecular Properties

Compound Name2-formamido-4-[(2-methylpropan-2-yl)oxy]benzamide
PubChem CID175276092
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-formamido-4-[(2-methylpropan-2-yl)oxy]benzamide
SMILESCC(C)(C)Oc1ccc(C(N)=O)c(NC=O)c1
InChIInChI=1S/C12H16N2O3/c1-12(2,3)17-8-4-5-9(11(13)16)10(6-8)14-7-15/h4-7H,1-3H3,(H2,13,16)(H,14,15)
InChIKeyXMXOSXRYMRQIIH-UHFFFAOYSA-N
XLogP1.53
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-formamido-4-[(2-methylpropan-2-yl)oxy]benzamide?
The IUPAC name of 2-formamido-4-[(2-methylpropan-2-yl)oxy]benzamide (CID 175276092) is 2-formamido-4-[(2-methylpropan-2-yl)oxy]benzamide.
What is the SMILES notation for 2-formamido-4-[(2-methylpropan-2-yl)oxy]benzamide?
The canonical SMILES for 2-formamido-4-[(2-methylpropan-2-yl)oxy]benzamide is CC(C)(C)Oc1ccc(C(N)=O)c(NC=O)c1.
What is the InChIKey of 2-formamido-4-[(2-methylpropan-2-yl)oxy]benzamide?
The InChIKey is XMXOSXRYMRQIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-12(2,3)17-8-4-5-9(11(13)16)10(6-8)14-7-15/h4-7H,1-3H3,(H2,13,16)(H,14,15).
What are the key properties of 2-formamido-4-[(2-methylpropan-2-yl)oxy]benzamide?
2-formamido-4-[(2-methylpropan-2-yl)oxy]benzamide has a molecular weight of 236.27 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamido-4-[(2-methylpropan-2-yl)oxy]benzamide is sourced from PubChem (CID 175276092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).