4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide

C20H22N2O3 — CID 22513063

IUPAC4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide
SMILESO=C(CCC(=O)N1CCOc2ccccc21)NCCc1ccccc1
InChIInChI=1S/C20H22N2O3/c23-19(21-13-12-16-6-2-1-3-7-16)10-11-20(24)22-14-15-25-18-9-5-4-8-17(18)22/h1-9H,10-15H2,(H,21,23)
InChIKeyMQQQZENRXNFVTC-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.55
Rot. Bonds6

About 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide

4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide (PubChem CID 22513063) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide
PubChem CID22513063
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide
SMILESO=C(CCC(=O)N1CCOc2ccccc21)NCCc1ccccc1
InChIInChI=1S/C20H22N2O3/c23-19(21-13-12-16-6-2-1-3-7-16)10-11-20(24)22-14-15-25-18-9-5-4-8-17(18)22/h1-9H,10-15H2,(H,21,23)
InChIKeyMQQQZENRXNFVTC-UHFFFAOYSA-N
XLogP2.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide?
The IUPAC name of 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide (CID 22513063) is 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide is O=C(CCC(=O)N1CCOc2ccccc21)NCCc1ccccc1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide?
The InChIKey is MQQQZENRXNFVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-19(21-13-12-16-6-2-1-3-7-16)10-11-20(24)22-14-15-25-18-9-5-4-8-17(18)22/h1-9H,10-15H2,(H,21,23).
What are the key properties of 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide?
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide has a molecular weight of 338.41 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide is sourced from PubChem (CID 22513063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).