N-[(2-methoxyphenyl)methyl]-4-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide

C21H24N2O4 — CID 22512923

IUPACN-[(2-methoxyphenyl)methyl]-4-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide
SMILESCOc1ccccc1CNC(=O)CCC(=O)N1CCOc2ccc(C)cc21
InChIInChI=1S/C21H24N2O4/c1-15-7-8-19-17(13-15)23(11-12-27-19)21(25)10-9-20(24)22-14-16-5-3-4-6-18(16)26-2/h3-8,13H,9-12,14H2,1-2H3,(H,22,24)
InChIKeyYQIRENPDVAKHJC-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.83
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-4-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide

N-[(2-methoxyphenyl)methyl]-4-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide (PubChem CID 22512923) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-4-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-4-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide
PubChem CID22512923
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-[(2-methoxyphenyl)methyl]-4-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide
SMILESCOc1ccccc1CNC(=O)CCC(=O)N1CCOc2ccc(C)cc21
InChIInChI=1S/C21H24N2O4/c1-15-7-8-19-17(13-15)23(11-12-27-19)21(25)10-9-20(24)22-14-16-5-3-4-6-18(16)26-2/h3-8,13H,9-12,14H2,1-2H3,(H,22,24)
InChIKeyYQIRENPDVAKHJC-UHFFFAOYSA-N
XLogP2.83
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-methoxyphenyl)methyl]-4-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-4-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-4-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide (CID 22512923) is N-[(2-methoxyphenyl)methyl]-4-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-4-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-4-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide is COc1ccccc1CNC(=O)CCC(=O)N1CCOc2ccc(C)cc21.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-4-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide?
The InChIKey is YQIRENPDVAKHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-15-7-8-19-17(13-15)23(11-12-27-19)21(25)10-9-20(24)22-14-16-5-3-4-6-18(16)26-2/h3-8,13H,9-12,14H2,1-2H3,(H,22,24).
What are the key properties of N-[(2-methoxyphenyl)methyl]-4-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide?
N-[(2-methoxyphenyl)methyl]-4-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide has a molecular weight of 368.43 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-4-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide is sourced from PubChem (CID 22512923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).