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

C13H18N2O2 — CID 24706737

IUPACN-(2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESCC(C)CNC(=O)C1CNc2ccccc2O1
InChIInChI=1S/C13H18N2O2/c1-9(2)7-15-13(16)12-8-14-10-5-3-4-6-11(10)17-12/h3-6,9,12,14H,7-8H2,1-2H3,(H,15,16)
InChIKeySLUAWWGVJDRPBC-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.63
Rot. Bonds3

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

N-(2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (PubChem CID 24706737) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
PubChem CID24706737
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESCC(C)CNC(=O)C1CNc2ccccc2O1
InChIInChI=1S/C13H18N2O2/c1-9(2)7-15-13(16)12-8-14-10-5-3-4-6-11(10)17-12/h3-6,9,12,14H,7-8H2,1-2H3,(H,15,16)
InChIKeySLUAWWGVJDRPBC-UHFFFAOYSA-N
XLogP1.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 43242556
N-[1-(ethylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 43401495
N-(1-methylsulfanylpropan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 113472799
N-(cyclobutylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 43298737
tert-butyl 2-[[(2S)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]amino]acetate
CID 67626027
N-(4-hydroxy-2,2-dimethylbutyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 106147903
N-(1-methylsulfonylpropan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 64643578
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
N-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 63823743
N-(1-hydroxy-2-methylpropan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 43500038
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 106247663

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The IUPAC name of N-(2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (CID 24706737) is N-(2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is CC(C)CNC(=O)C1CNc2ccccc2O1.
What is the InChIKey of N-(2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The InChIKey is SLUAWWGVJDRPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9(2)7-15-13(16)12-8-14-10-5-3-4-6-11(10)17-12/h3-6,9,12,14H,7-8H2,1-2H3,(H,15,16).
What are the key properties of N-(2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
N-(2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 24706737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).