4-(3-oxo-1,4-benzoxazin-4-yl)-N-propan-2-ylbutanamide

C15H20N2O3 — CID 42787969

IUPAC4-(3-oxo-1,4-benzoxazin-4-yl)-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CCCN1C(=O)COc2ccccc21
InChIInChI=1S/C15H20N2O3/c1-11(2)16-14(18)8-5-9-17-12-6-3-4-7-13(12)20-10-15(17)19/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,16,18)
InChIKeyBIUIETRZMOXJRR-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.72
Rot. Bonds5

About 4-(3-oxo-1,4-benzoxazin-4-yl)-N-propan-2-ylbutanamide

4-(3-oxo-1,4-benzoxazin-4-yl)-N-propan-2-ylbutanamide (PubChem CID 42787969) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-(3-oxo-1,4-benzoxazin-4-yl)-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-(3-oxo-1,4-benzoxazin-4-yl)-N-propan-2-ylbutanamide
PubChem CID42787969
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-(3-oxo-1,4-benzoxazin-4-yl)-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CCCN1C(=O)COc2ccccc21
InChIInChI=1S/C15H20N2O3/c1-11(2)16-14(18)8-5-9-17-12-6-3-4-7-13(12)20-10-15(17)19/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,16,18)
InChIKeyBIUIETRZMOXJRR-UHFFFAOYSA-N
XLogP1.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-oxo-1,4-benzoxazin-4-yl)-N-(4-phenylbutan-2-yl)butanamide
CID 4653840
N-(3-methylbutan-2-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 46651113
N-(3-methylbutyl)-4-(3-oxo-1,4-benzoxazin-4-yl)butanamide
CID 42787992
3-(3-oxo-1,4-benzoxazin-4-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 6938465
N-[(2S)-1-aminopropan-2-yl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide;hydrochloride
CID 120504850
4-(3-oxo-1,4-benzoxazin-4-yl)butanoate
CID 7442942
4-methyl-2-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]pentanoic acid
CID 82033825
3-(3-oxo-1,4-benzoxazin-4-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
CID 35235363
4-(5-hydroxypentyl)-1,4-benzoxazin-3-one
CID 62229355
methyl (2R)-3-hydroxy-2-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]propanoate
CID 9278082
N-(1-aminohexan-2-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 119668071
4-(4,4-dimethyl-2-oxo-3H-quinolin-1-yl)-N-propan-2-ylbutanamide
CID 91938678

Frequently Asked Questions

What is the IUPAC name of 4-(3-oxo-1,4-benzoxazin-4-yl)-N-propan-2-ylbutanamide?
The IUPAC name of 4-(3-oxo-1,4-benzoxazin-4-yl)-N-propan-2-ylbutanamide (CID 42787969) is 4-(3-oxo-1,4-benzoxazin-4-yl)-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-(3-oxo-1,4-benzoxazin-4-yl)-N-propan-2-ylbutanamide?
The canonical SMILES for 4-(3-oxo-1,4-benzoxazin-4-yl)-N-propan-2-ylbutanamide is CC(C)NC(=O)CCCN1C(=O)COc2ccccc21.
What is the InChIKey of 4-(3-oxo-1,4-benzoxazin-4-yl)-N-propan-2-ylbutanamide?
The InChIKey is BIUIETRZMOXJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11(2)16-14(18)8-5-9-17-12-6-3-4-7-13(12)20-10-15(17)19/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,16,18).
What are the key properties of 4-(3-oxo-1,4-benzoxazin-4-yl)-N-propan-2-ylbutanamide?
4-(3-oxo-1,4-benzoxazin-4-yl)-N-propan-2-ylbutanamide has a molecular weight of 276.34 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-oxo-1,4-benzoxazin-4-yl)-N-propan-2-ylbutanamide is sourced from PubChem (CID 42787969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).