4-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(2-phenylpropyl)butanamide

C23H28N2O3 — CID 22512857

IUPAC4-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(2-phenylpropyl)butanamide
SMILESCc1ccc2c(c1)N(C(=O)CCC(=O)NCC(C)c1ccccc1)CC(C)O2
InChIInChI=1S/C23H28N2O3/c1-16-9-10-21-20(13-16)25(15-18(3)28-21)23(27)12-11-22(26)24-14-17(2)19-7-5-4-6-8-19/h4-10,13,17-18H,11-12,14-15H2,1-3H3,(H,24,26)
InChIKeyBZRCJRMOYITPHT-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.81
Rot. Bonds6

About 4-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(2-phenylpropyl)butanamide

4-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(2-phenylpropyl)butanamide (PubChem CID 22512857) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(2-phenylpropyl)butanamide.

Molecular Properties

Compound Name4-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(2-phenylpropyl)butanamide
PubChem CID22512857
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name4-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(2-phenylpropyl)butanamide
SMILESCc1ccc2c(c1)N(C(=O)CCC(=O)NCC(C)c1ccccc1)CC(C)O2
InChIInChI=1S/C23H28N2O3/c1-16-9-10-21-20(13-16)25(15-18(3)28-21)23(27)12-11-22(26)24-14-17(2)19-7-5-4-6-8-19/h4-10,13,17-18H,11-12,14-15H2,1-3H3,(H,24,26)
InChIKeyBZRCJRMOYITPHT-UHFFFAOYSA-N
XLogP3.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(2-phenylpropyl)butanamide?
The IUPAC name of 4-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(2-phenylpropyl)butanamide (CID 22512857) is 4-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(2-phenylpropyl)butanamide.
What is the SMILES notation for 4-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(2-phenylpropyl)butanamide?
The canonical SMILES for 4-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(2-phenylpropyl)butanamide is Cc1ccc2c(c1)N(C(=O)CCC(=O)NCC(C)c1ccccc1)CC(C)O2.
What is the InChIKey of 4-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(2-phenylpropyl)butanamide?
The InChIKey is BZRCJRMOYITPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-16-9-10-21-20(13-16)25(15-18(3)28-21)23(27)12-11-22(26)24-14-17(2)19-7-5-4-6-8-19/h4-10,13,17-18H,11-12,14-15H2,1-3H3,(H,24,26).
What are the key properties of 4-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(2-phenylpropyl)butanamide?
4-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(2-phenylpropyl)butanamide has a molecular weight of 380.49 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(2-phenylpropyl)butanamide is sourced from PubChem (CID 22512857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).