4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

C11H14N2O2 — CID 173096627

IUPAC4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCc1ccc2c(c1)N(C)CC(C(N)=O)O2
InChIInChI=1S/C11H14N2O2/c1-7-3-4-9-8(5-7)13(2)6-10(15-9)11(12)14/h3-5,10H,6H2,1-2H3,(H2,12,14)
InChIKeyDQBPVPMCPDEEER-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.68
Rot. Bonds1

About 4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (PubChem CID 173096627) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
PubChem CID173096627
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCc1ccc2c(c1)N(C)CC(C(N)=O)O2
InChIInChI=1S/C11H14N2O2/c1-7-3-4-9-8(5-7)13(2)6-10(15-9)11(12)14/h3-5,10H,6H2,1-2H3,(H2,12,14)
InChIKeyDQBPVPMCPDEEER-UHFFFAOYSA-N
XLogP0.68
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

AC-260584
CID 9928284
3,4-Dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 26120
6-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 649409
4-(4-Methoxy-benzyl)-4H-benzo[1,4]oxazin-3-one
CID 1431724
2-(2-Ethyl-6-methyl-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3155043
Methyl (6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetate
CID 4430867
N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 31092
2H-1,4-Benzoxazin-3(4H)-one,4-methyl-
CID 89032
2-methyl-2H-1,4-benzoxazin-3(4H)-one
CID 301730
2H-1,4-Benzoxazine-3(4H)-one, 6-methyl-
CID 2763839
Paraxazone
CID 3047812
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanamide
CID 3236663

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The IUPAC name of 4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (CID 173096627) is 4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for 4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for 4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide is Cc1ccc2c(c1)N(C)CC(C(N)=O)O2.
What is the InChIKey of 4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The InChIKey is DQBPVPMCPDEEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-7-3-4-9-8(5-7)13(2)6-10(15-9)11(12)14/h3-5,10H,6H2,1-2H3,(H2,12,14).
What are the key properties of 4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide has a molecular weight of 206.24 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 173096627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).