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

C17H18N2O2 — CID 24701248

IUPACN-(2-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESCCc1ccccc1NC(=O)C1CNc2ccccc2O1
InChIInChI=1S/C17H18N2O2/c1-2-12-7-3-4-8-13(12)19-17(20)16-11-18-14-9-5-6-10-15(14)21-16/h3-10,16,18H,2,11H2,1H3,(H,19,20)
InChIKeyKGWJLSIMWGWPHN-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.06
Rot. Bonds3

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

N-(2-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (PubChem CID 24701248) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(2-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
PubChem CID24701248
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-(2-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESCCc1ccccc1NC(=O)C1CNc2ccccc2O1
InChIInChI=1S/C17H18N2O2/c1-2-12-7-3-4-8-13(12)19-17(20)16-11-18-14-9-5-6-10-15(14)21-16/h3-10,16,18H,2,11H2,1H3,(H,19,20)
InChIKeyKGWJLSIMWGWPHN-UHFFFAOYSA-N
XLogP3.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-2-methylpropan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 43500038
N-(2-ethylphenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565911
N-[1-(ethylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 43401495
N-(2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 24706737
methyl (2R)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
CID 2090947
N-(4-chloro-2-iodophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 107625509
N-(2-hydroxyethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 43242556
N-pyridazin-3-yl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 116786757
N-(3,5-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 43100505
N-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 79240195
N-(2,5-dimethylpyrrol-1-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 79107400
N-(1H-imidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 55215106

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (CID 24701248) is N-(2-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is CCc1ccccc1NC(=O)C1CNc2ccccc2O1.
What is the InChIKey of N-(2-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The InChIKey is KGWJLSIMWGWPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-2-12-7-3-4-8-13(12)19-17(20)16-11-18-14-9-5-6-10-15(14)21-16/h3-10,16,18H,2,11H2,1H3,(H,19,20).
What are the key properties of N-(2-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
N-(2-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 24701248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).