5-methyl-N-phenyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

C16H16N2O2 — CID 144994799

IUPAC5-methyl-N-phenyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESCc1cccc2c1NCC(C(=O)Nc1ccccc1)O2
InChIInChI=1S/C16H16N2O2/c1-11-6-5-9-13-15(11)17-10-14(20-13)16(19)18-12-7-3-2-4-8-12/h2-9,14,17H,10H2,1H3,(H,18,19)
InChIKeyNCRZFWSSKAKAGO-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.81
Rot. Bonds2

About 5-methyl-N-phenyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

5-methyl-N-phenyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (PubChem CID 144994799) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-methyl-N-phenyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-phenyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
PubChem CID144994799
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name5-methyl-N-phenyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESCc1cccc2c1NCC(C(=O)Nc1ccccc1)O2
InChIInChI=1S/C16H16N2O2/c1-11-6-5-9-13-15(11)17-10-14(20-13)16(19)18-12-7-3-2-4-8-12/h2-9,14,17H,10H2,1H3,(H,18,19)
InChIKeyNCRZFWSSKAKAGO-UHFFFAOYSA-N
XLogP2.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-6-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 66256274
N-(3-hydroxy-4-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 107701393
N-(3-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 24694997
N-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 62811648
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-(3-bromo-5-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 107583524
4-acetyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 18104204
N-(1H-pyrazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 43540252
4-(3,4-dihydro-2H-1,4-benzoxazine-2-carbonylamino)-4-methylpentanoic acid
CID 62047956
4-N-(2,6-dimethylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150290
(2R)-4-(benzenesulfonyl)-N-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 95080026

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-phenyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The IUPAC name of 5-methyl-N-phenyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (CID 144994799) is 5-methyl-N-phenyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-phenyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-phenyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is Cc1cccc2c1NCC(C(=O)Nc1ccccc1)O2.
What is the InChIKey of 5-methyl-N-phenyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The InChIKey is NCRZFWSSKAKAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-11-6-5-9-13-15(11)17-10-14(20-13)16(19)18-12-7-3-2-4-8-12/h2-9,14,17H,10H2,1H3,(H,18,19).
What are the key properties of 5-methyl-N-phenyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
5-methyl-N-phenyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-phenyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 144994799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).