N-methyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

C15H20N2O3 — CID 61435902

IUPACN-methyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESCN(CC1CCCO1)C(=O)C1CNc2ccccc2O1
InChIInChI=1S/C15H20N2O3/c1-17(10-11-5-4-8-19-11)15(18)14-9-16-12-6-2-3-7-13(12)20-14/h2-3,6-7,11,14,16H,4-5,8-10H2,1H3
InChIKeyMFULWEKAAWTUTI-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.50
Rot. Bonds3

About N-methyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

N-methyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (PubChem CID 61435902) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-methyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
PubChem CID61435902
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-methyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESCN(CC1CCCO1)C(=O)C1CNc2ccccc2O1
InChIInChI=1S/C15H20N2O3/c1-17(10-11-5-4-8-19-11)15(18)14-9-16-12-6-2-3-7-13(12)20-14/h2-3,6-7,11,14,16H,4-5,8-10H2,1H3
InChIKeyMFULWEKAAWTUTI-UHFFFAOYSA-N
XLogP1.50
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The IUPAC name of N-methyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (CID 61435902) is N-methyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for N-methyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for N-methyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is CN(CC1CCCO1)C(=O)C1CNc2ccccc2O1.
What is the InChIKey of N-methyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The InChIKey is MFULWEKAAWTUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-17(10-11-5-4-8-19-11)15(18)14-9-16-12-6-2-3-7-13(12)20-14/h2-3,6-7,11,14,16H,4-5,8-10H2,1H3.
What are the key properties of N-methyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
N-methyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 61435902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).