2-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide

C13H18N2O2 — CID 110639526

IUPAC2-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide
SMILESCC(C)C(=O)Nc1ccc2c(c1)N(C)CCO2
InChIInChI=1S/C13H18N2O2/c1-9(2)13(16)14-10-4-5-12-11(8-10)15(3)6-7-17-12/h4-5,8-9H,6-7H2,1-3H3,(H,14,16)
InChIKeyKGZGIUSQEYEVDH-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.11
Rot. Bonds2

About 2-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide

2-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide (PubChem CID 110639526) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide
PubChem CID110639526
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide
SMILESCC(C)C(=O)Nc1ccc2c(c1)N(C)CCO2
InChIInChI=1S/C13H18N2O2/c1-9(2)13(16)14-10-4-5-12-11(8-10)15(3)6-7-17-12/h4-5,8-9H,6-7H2,1-3H3,(H,14,16)
InChIKeyKGZGIUSQEYEVDH-UHFFFAOYSA-N
XLogP2.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)butanamide
CID 119889241
2-methyl-3-(methylamino)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide;dihydrochloride
CID 119889246
3-amino-2-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-3-phenylpropanamide
CID 119889229
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)morpholine-4-carboxamide
CID 110639589
2-amino-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-3-phenylpropanamide
CID 119889219
1,1-diethyl-3-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)urea
CID 110639588
2-amino-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-3-phenylpropanamide;dihydrochloride
CID 119889218
3-amino-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide
CID 83626295
2-(2-methoxyphenyl)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)acetamide
CID 110729427
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)furan-2-carboxamide
CID 110639535
2-chloro-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide
CID 110639571
2,6-dibromo-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide
CID 167856806

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide?
The IUPAC name of 2-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide (CID 110639526) is 2-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide?
The canonical SMILES for 2-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide is CC(C)C(=O)Nc1ccc2c(c1)N(C)CCO2.
What is the InChIKey of 2-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide?
The InChIKey is KGZGIUSQEYEVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9(2)13(16)14-10-4-5-12-11(8-10)15(3)6-7-17-12/h4-5,8-9H,6-7H2,1-3H3,(H,14,16).
What are the key properties of 2-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide?
2-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide has a molecular weight of 234.30 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide is sourced from PubChem (CID 110639526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).