N-(1-hydroxy-3-methylpentan-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

C15H22N2O3 — CID 106176392

IUPACN-(1-hydroxy-3-methylpentan-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESCCC(C)(CCO)NC(=O)C1CNc2ccccc2O1
InChIInChI=1S/C15H22N2O3/c1-3-15(2,8-9-18)17-14(19)13-10-16-11-6-4-5-7-12(11)20-13/h4-7,13,16,18H,3,8-10H2,1-2H3,(H,17,19)
InChIKeyFXSXQPDOMQKCLW-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.53
Rot. Bonds5

About N-(1-hydroxy-3-methylpentan-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

N-(1-hydroxy-3-methylpentan-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (PubChem CID 106176392) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
PubChem CID106176392
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-(1-hydroxy-3-methylpentan-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESCCC(C)(CCO)NC(=O)C1CNc2ccccc2O1
InChIInChI=1S/C15H22N2O3/c1-3-15(2,8-9-18)17-14(19)13-10-16-11-6-4-5-7-12(11)20-13/h4-7,13,16,18H,3,8-10H2,1-2H3,(H,17,19)
InChIKeyFXSXQPDOMQKCLW-UHFFFAOYSA-N
XLogP1.53
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (CID 106176392) is N-(1-hydroxy-3-methylpentan-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is CCC(C)(CCO)NC(=O)C1CNc2ccccc2O1.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The InChIKey is FXSXQPDOMQKCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-15(2,8-9-18)17-14(19)13-10-16-11-6-4-5-7-12(11)20-13/h4-7,13,16,18H,3,8-10H2,1-2H3,(H,17,19).
What are the key properties of N-(1-hydroxy-3-methylpentan-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
N-(1-hydroxy-3-methylpentan-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylpentan-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 106176392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).