N',N',3,6,6-pentamethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carbohydrazide

C14H20N2O3 — CID 18832067

IUPACN',N',3,6,6-pentamethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NN(C)C)oc2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C14H20N2O3/c1-8-11-9(17)6-14(2,3)7-10(11)19-12(8)13(18)15-16(4)5/h6-7H2,1-5H3,(H,15,18)
InChIKeyBAIJCUJYMPNFMQ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.95
Rot. Bonds2

About N',N',3,6,6-pentamethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carbohydrazide

N',N',3,6,6-pentamethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carbohydrazide (PubChem CID 18832067) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N',N',3,6,6-pentamethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN',N',3,6,6-pentamethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carbohydrazide
PubChem CID18832067
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN',N',3,6,6-pentamethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NN(C)C)oc2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C14H20N2O3/c1-8-11-9(17)6-14(2,3)7-10(11)19-12(8)13(18)15-16(4)5/h6-7H2,1-5H3,(H,15,18)
InChIKeyBAIJCUJYMPNFMQ-UHFFFAOYSA-N
XLogP1.95
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N',N',3,6,6-pentamethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carbohydrazide?
The IUPAC name of N',N',3,6,6-pentamethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carbohydrazide (CID 18832067) is N',N',3,6,6-pentamethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N',N',3,6,6-pentamethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N',N',3,6,6-pentamethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carbohydrazide is Cc1c(C(=O)NN(C)C)oc2c1C(=O)CC(C)(C)C2.
What is the InChIKey of N',N',3,6,6-pentamethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carbohydrazide?
The InChIKey is BAIJCUJYMPNFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-8-11-9(17)6-14(2,3)7-10(11)19-12(8)13(18)15-16(4)5/h6-7H2,1-5H3,(H,15,18).
What are the key properties of N',N',3,6,6-pentamethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carbohydrazide?
N',N',3,6,6-pentamethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carbohydrazide has a molecular weight of 264.32 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N',3,6,6-pentamethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 18832067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).