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

C15H22N2O3 — CID 106147903

IUPACN-(4-hydroxy-2,2-dimethylbutyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESCC(C)(CCO)CNC(=O)C1CNc2ccccc2O1
InChIInChI=1S/C15H22N2O3/c1-15(2,7-8-18)10-17-14(19)13-9-16-11-5-3-4-6-12(11)20-13/h3-6,13,16,18H,7-10H2,1-2H3,(H,17,19)
InChIKeyJRRPOAQCEHJWGX-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.38
Rot. Bonds5

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

N-(4-hydroxy-2,2-dimethylbutyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (PubChem CID 106147903) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylbutyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylbutyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
PubChem CID106147903
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-(4-hydroxy-2,2-dimethylbutyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESCC(C)(CCO)CNC(=O)C1CNc2ccccc2O1
InChIInChI=1S/C15H22N2O3/c1-15(2,7-8-18)10-17-14(19)13-9-16-11-5-3-4-6-12(11)20-13/h3-6,13,16,18H,7-10H2,1-2H3,(H,17,19)
InChIKeyJRRPOAQCEHJWGX-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxy-3-methylpentan-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 106176392
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 106247663
N-(2-hydroxyethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 43242556
N-(1-hydroxy-2-methylpropan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 43500038
tert-butyl 2-[[(2S)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]amino]acetate
CID 67626027
N-(2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 24706737
4-(3,4-dihydro-2H-1,4-benzoxazine-2-carbonylamino)-4-methylpentanoic acid
CID 62047956
N-(cyclobutylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 43298737
N-(1-methylsulfanylpropan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 113472799
methyl (2R)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
CID 2090947
N-[(1-methylpyrrol-2-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 106416776
(2S)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
CID 7020375

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (CID 106147903) is N-(4-hydroxy-2,2-dimethylbutyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylbutyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylbutyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is CC(C)(CCO)CNC(=O)C1CNc2ccccc2O1.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylbutyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The InChIKey is JRRPOAQCEHJWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2,7-8-18)10-17-14(19)13-9-16-11-5-3-4-6-12(11)20-13/h3-6,13,16,18H,7-10H2,1-2H3,(H,17,19).
What are the key properties of N-(4-hydroxy-2,2-dimethylbutyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
N-(4-hydroxy-2,2-dimethylbutyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylbutyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 106147903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).