2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pent-2-enamide

C15H18N2O3 — CID 76885149

IUPAC2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pent-2-enamide
SMILESCCC=C(C)C(=O)Nc1ccc2c(c1)NC(=O)C(C)O2
InChIInChI=1S/C15H18N2O3/c1-4-5-9(2)14(18)16-11-6-7-13-12(8-11)17-15(19)10(3)20-13/h5-8,10H,4H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyZOBNMJFWHPZJLB-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.70
Rot. Bonds3

About 2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pent-2-enamide

2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pent-2-enamide (PubChem CID 76885149) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pent-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pent-2-enamide
PubChem CID76885149
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pent-2-enamide
SMILESCCC=C(C)C(=O)Nc1ccc2c(c1)NC(=O)C(C)O2
InChIInChI=1S/C15H18N2O3/c1-4-5-9(2)14(18)16-11-6-7-13-12(8-11)17-15(19)10(3)20-13/h5-8,10H,4H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyZOBNMJFWHPZJLB-UHFFFAOYSA-N
XLogP2.70
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
CID 42506170
(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid
CID 115170648
(E)-4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-4-oxobut-2-enoic acid
CID 60941117
4-amino-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)butanamide;hydrochloride
CID 119273981
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]cyclopropanecarboxamide
CID 9146242
1-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-phenylurea
CID 41291616
2-methyl-6-(3-oxobutylamino)-4H-1,4-benzoxazin-3-one
CID 115235415
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(propan-2-ylamino)acetamide
CID 60843067
4-(diethylamino)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide
CID 40973912
3-(4-ethylphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 84938811
(E)-3-(4-acetamidophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)prop-2-enamide
CID 46520996
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(prop-2-enylamino)acetamide
CID 79284913

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pent-2-enamide?
The IUPAC name of 2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pent-2-enamide (CID 76885149) is 2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pent-2-enamide.
What is the SMILES notation for 2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pent-2-enamide?
The canonical SMILES for 2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pent-2-enamide is CCC=C(C)C(=O)Nc1ccc2c(c1)NC(=O)C(C)O2.
What is the InChIKey of 2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pent-2-enamide?
The InChIKey is ZOBNMJFWHPZJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-4-5-9(2)14(18)16-11-6-7-13-12(8-11)17-15(19)10(3)20-13/h5-8,10H,4H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pent-2-enamide?
2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pent-2-enamide has a molecular weight of 274.32 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pent-2-enamide is sourced from PubChem (CID 76885149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).