N-(1,2-diphenylethyl)-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide

C27H28N2O3 — CID 5047623

IUPACN-(1,2-diphenylethyl)-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide
SMILESCc1ccc2c(c1)N(CCCC(=O)NC(Cc1ccccc1)c1ccccc1)C(=O)CO2
InChIInChI=1S/C27H28N2O3/c1-20-14-15-25-24(17-20)29(27(31)19-32-25)16-8-13-26(30)28-23(22-11-6-3-7-12-22)18-21-9-4-2-5-10-21/h2-7,9-12,14-15,17,23H,8,13,16,18-19H2,1H3,(H,28,30)
InChIKeyOWNLDCZIPIHTHE-UHFFFAOYSA-N
MW428.53 g/mol
LogP4.60
Rot. Bonds8

About N-(1,2-diphenylethyl)-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide

N-(1,2-diphenylethyl)-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide (PubChem CID 5047623) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is N-(1,2-diphenylethyl)-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide.

Molecular Properties

Compound NameN-(1,2-diphenylethyl)-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide
PubChem CID5047623
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC NameN-(1,2-diphenylethyl)-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide
SMILESCc1ccc2c(c1)N(CCCC(=O)NC(Cc1ccccc1)c1ccccc1)C(=O)CO2
InChIInChI=1S/C27H28N2O3/c1-20-14-15-25-24(17-20)29(27(31)19-32-25)16-8-13-26(30)28-23(22-11-6-3-7-12-22)18-21-9-4-2-5-10-21/h2-7,9-12,14-15,17,23H,8,13,16,18-19H2,1H3,(H,28,30)
InChIKeyOWNLDCZIPIHTHE-UHFFFAOYSA-N
XLogP4.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1,2-diphenylethyl)-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[5-(diethylamino)pentan-2-yl]-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide
CID 3511652
N-(1-benzylpiperidin-4-yl)-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide
CID 42788025
N-(1,2-diphenylethyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 75855427
4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]butanamide
CID 20887616
4-(3-oxo-1,4-benzoxazin-4-yl)-N-(4-phenylbutan-2-yl)butanamide
CID 4653840
4-(3-oxo-1,4-benzoxazin-4-yl)-N-propan-2-ylbutanamide
CID 42787969
4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 4104320
4-hexyl-6-methyl-1,4-benzoxazin-3-one
CID 143253505
4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-morpholin-4-ylpropyl)butanamide
CID 3252883
2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-phenylacetamide
CID 18773522
N-(2-bromo-4,6-difluorophenyl)-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide
CID 20887617
3-(3-oxo-1,4-benzoxazin-4-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 6938465

Frequently Asked Questions

What is the IUPAC name of N-(1,2-diphenylethyl)-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide?
The IUPAC name of N-(1,2-diphenylethyl)-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide (CID 5047623) is N-(1,2-diphenylethyl)-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide.
What is the SMILES notation for N-(1,2-diphenylethyl)-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide?
The canonical SMILES for N-(1,2-diphenylethyl)-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide is Cc1ccc2c(c1)N(CCCC(=O)NC(Cc1ccccc1)c1ccccc1)C(=O)CO2.
What is the InChIKey of N-(1,2-diphenylethyl)-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide?
The InChIKey is OWNLDCZIPIHTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3/c1-20-14-15-25-24(17-20)29(27(31)19-32-25)16-8-13-26(30)28-23(22-11-6-3-7-12-22)18-21-9-4-2-5-10-21/h2-7,9-12,14-15,17,23H,8,13,16,18-19H2,1H3,(H,28,30).
What are the key properties of N-(1,2-diphenylethyl)-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide?
N-(1,2-diphenylethyl)-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide has a molecular weight of 428.53 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-diphenylethyl)-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide is sourced from PubChem (CID 5047623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).