N,N,6-trimethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide

C12H16N2O2 — CID 110639196

IUPACN,N,6-trimethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCc1ccc2c(c1)N(C(=O)N(C)C)CCO2
InChIInChI=1S/C12H16N2O2/c1-9-4-5-11-10(8-9)14(6-7-16-11)12(15)13(2)3/h4-5,8H,6-7H2,1-3H3
InChIKeyQXCKDUVKULYXAK-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.88
Rot. Bonds

About N,N,6-trimethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide

N,N,6-trimethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide (PubChem CID 110639196) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N,N,6-trimethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide.

Molecular Properties

Compound NameN,N,6-trimethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
PubChem CID110639196
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN,N,6-trimethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCc1ccc2c(c1)N(C(=O)N(C)C)CCO2
InChIInChI=1S/C12H16N2O2/c1-9-4-5-11-10(8-9)14(6-7-16-11)12(15)13(2)3/h4-5,8H,6-7H2,1-3H3
InChIKeyQXCKDUVKULYXAK-UHFFFAOYSA-N
XLogP1.88
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 12510541
2-chloro-1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 14880523
3-bromo-1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one
CID 118225604
(4-methoxyphenyl)-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 110639161
(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(oxolan-2-yl)methanone
CID 110639147
(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-pyridin-3-ylmethanone
CID 110639185
1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(1-methylpiperidin-4-yl)ethanone
CID 118225622
4,6-dimethyl-2,3-dihydro-1,4-benzoxazine;ethane
CID 90795245
1-[6-[(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 20969859
2-[3-(dimethylamino)-4-(4-methylphenyl)pyrazol-1-yl]-1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 50841342
1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-methylphenoxy)ethanone
CID 110714286
N-(2-methoxyphenyl)-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521365

Frequently Asked Questions

What is the IUPAC name of N,N,6-trimethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The IUPAC name of N,N,6-trimethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide (CID 110639196) is N,N,6-trimethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide.
What is the SMILES notation for N,N,6-trimethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The canonical SMILES for N,N,6-trimethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide is Cc1ccc2c(c1)N(C(=O)N(C)C)CCO2.
What is the InChIKey of N,N,6-trimethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The InChIKey is QXCKDUVKULYXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9-4-5-11-10(8-9)14(6-7-16-11)12(15)13(2)3/h4-5,8H,6-7H2,1-3H3.
What are the key properties of N,N,6-trimethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
N,N,6-trimethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide has a molecular weight of 220.27 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,6-trimethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide is sourced from PubChem (CID 110639196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).