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

C15H20N2O3 — CID 114629663

IUPACN-(3-hydroxy-2,2-dimethylcyclobutyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESCC1(C)C(O)CC1NC(=O)C1CNc2ccccc2O1
InChIInChI=1S/C15H20N2O3/c1-15(2)12(7-13(15)18)17-14(19)11-8-16-9-5-3-4-6-10(9)20-11/h3-6,11-13,16,18H,7-8H2,1-2H3,(H,17,19)
InChIKeyAQTZEHNLPYEXDL-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.14
Rot. Bonds2

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

N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (PubChem CID 114629663) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
PubChem CID114629663
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESCC1(C)C(O)CC1NC(=O)C1CNc2ccccc2O1
InChIInChI=1S/C15H20N2O3/c1-15(2)12(7-13(15)18)17-14(19)11-8-16-9-5-3-4-6-10(9)20-11/h3-6,11-13,16,18H,7-8H2,1-2H3,(H,17,19)
InChIKeyAQTZEHNLPYEXDL-UHFFFAOYSA-N
XLogP1.14
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (CID 114629663) is N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is CC1(C)C(O)CC1NC(=O)C1CNc2ccccc2O1.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The InChIKey is AQTZEHNLPYEXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(2)12(7-13(15)18)17-14(19)11-8-16-9-5-3-4-6-10(9)20-11/h3-6,11-13,16,18H,7-8H2,1-2H3,(H,17,19).
What are the key properties of N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.14, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 114629663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).