ethane;7-[2-hydroxyethyl(methyl)amino]-3-methyl-1,4-benzoxazin-2-one

C16H26N2O3 — CID 143195102

IUPACethane;7-[2-hydroxyethyl(methyl)amino]-3-methyl-1,4-benzoxazin-2-one
SMILESCC.CC.Cc1nc2ccc(N(C)CCO)cc2oc1=O
InChIInChI=1S/C12H14N2O3.2C2H6/c1-8-12(16)17-11-7-9(14(2)5-6-15)3-4-10(11)13-8;2*1-2/h3-4,7,15H,5-6H2,1-2H3;2*1-2H3
InChIKeyDPDCXDRPGGVOTO-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.98
Rot. Bonds3

About ethane;7-[2-hydroxyethyl(methyl)amino]-3-methyl-1,4-benzoxazin-2-one

ethane;7-[2-hydroxyethyl(methyl)amino]-3-methyl-1,4-benzoxazin-2-one (PubChem CID 143195102) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is ethane;7-[2-hydroxyethyl(methyl)amino]-3-methyl-1,4-benzoxazin-2-one.

Molecular Properties

Compound Nameethane;7-[2-hydroxyethyl(methyl)amino]-3-methyl-1,4-benzoxazin-2-one
PubChem CID143195102
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Nameethane;7-[2-hydroxyethyl(methyl)amino]-3-methyl-1,4-benzoxazin-2-one
SMILESCC.CC.Cc1nc2ccc(N(C)CCO)cc2oc1=O
InChIInChI=1S/C12H14N2O3.2C2H6/c1-8-12(16)17-11-7-9(14(2)5-6-15)3-4-10(11)13-8;2*1-2/h3-4,7,15H,5-6H2,1-2H3;2*1-2H3
InChIKeyDPDCXDRPGGVOTO-UHFFFAOYSA-N
XLogP2.98
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-[2-hydroxyethyl(methyl)amino]chromen-2-one
CID 87789363
5-[methyl-(2-methyl-1,3-benzoxazol-6-yl)amino]pentan-2-one
CID 115236387
3-(bromomethyl)-7-(dimethylamino)-1,4-benzoxazin-2-one
CID 14794620
methyl 3-[methyl-(2-methyl-1,3-benzoxazol-6-yl)amino]propanoate
CID 115232332
[methyl-(2-methyl-1,3-benzoxazol-6-yl)amino]methanethiol
CID 115227813
4-hydroxy-N-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide
CID 115162920
2,2-dimethyl-3-[methyl-(2-methyl-1,3-benzoxazol-6-yl)amino]propanoic acid
CID 115136508
2-[methyl-(2-methyl-1,3-benzoxazol-6-yl)amino]acetonitrile
CID 115130898
N,2-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazol-6-amine
CID 115210683
1-[[methyl-(2-methyl-1,3-benzoxazol-6-yl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115242854
3-(1,3-benzoxazol-2-yl)-7-[2-(dimethylamino)ethyl-methylamino]chromen-2-one
CID 71622685
2-[3H-benzimidazol-5-yl(methyl)amino]ethanol
CID 115216158

Frequently Asked Questions

What is the IUPAC name of ethane;7-[2-hydroxyethyl(methyl)amino]-3-methyl-1,4-benzoxazin-2-one?
The IUPAC name of ethane;7-[2-hydroxyethyl(methyl)amino]-3-methyl-1,4-benzoxazin-2-one (CID 143195102) is ethane;7-[2-hydroxyethyl(methyl)amino]-3-methyl-1,4-benzoxazin-2-one.
What is the SMILES notation for ethane;7-[2-hydroxyethyl(methyl)amino]-3-methyl-1,4-benzoxazin-2-one?
The canonical SMILES for ethane;7-[2-hydroxyethyl(methyl)amino]-3-methyl-1,4-benzoxazin-2-one is CC.CC.Cc1nc2ccc(N(C)CCO)cc2oc1=O.
What is the InChIKey of ethane;7-[2-hydroxyethyl(methyl)amino]-3-methyl-1,4-benzoxazin-2-one?
The InChIKey is DPDCXDRPGGVOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3.2C2H6/c1-8-12(16)17-11-7-9(14(2)5-6-15)3-4-10(11)13-8;2*1-2/h3-4,7,15H,5-6H2,1-2H3;2*1-2H3.
What are the key properties of ethane;7-[2-hydroxyethyl(methyl)amino]-3-methyl-1,4-benzoxazin-2-one?
ethane;7-[2-hydroxyethyl(methyl)amino]-3-methyl-1,4-benzoxazin-2-one has a molecular weight of 294.40 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-[2-hydroxyethyl(methyl)amino]-3-methyl-1,4-benzoxazin-2-one is sourced from PubChem (CID 143195102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).