N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]-3-phenylbenzamide

C23H20N2O3 — CID 110404689

IUPACN-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]-3-phenylbenzamide
SMILESO=C(NCCC1Oc2ccccc2NC1=O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C23H20N2O3/c26-22(18-10-6-9-17(15-18)16-7-2-1-3-8-16)24-14-13-21-23(27)25-19-11-4-5-12-20(19)28-21/h1-12,15,21H,13-14H2,(H,24,26)(H,25,27)
InChIKeyZVUMBQVKYJMQTB-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.87
Rot. Bonds5

About N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]-3-phenylbenzamide

N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]-3-phenylbenzamide (PubChem CID 110404689) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]-3-phenylbenzamide.

Molecular Properties

Compound NameN-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]-3-phenylbenzamide
PubChem CID110404689
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC NameN-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]-3-phenylbenzamide
SMILESO=C(NCCC1Oc2ccccc2NC1=O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C23H20N2O3/c26-22(18-10-6-9-17(15-18)16-7-2-1-3-8-16)24-14-13-21-23(27)25-19-11-4-5-12-20(19)28-21/h1-12,15,21H,13-14H2,(H,24,26)(H,25,27)
InChIKeyZVUMBQVKYJMQTB-UHFFFAOYSA-N
XLogP3.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]benzamide
CID 110404641
2-ethyl-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]butanamide
CID 110404629
N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]pentanamide
CID 110404623
N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]oxolane-2-carboxamide
CID 110404626
N-benzyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 66716785
2-(2-aminoethyl)-4H-1,4-benzoxazin-3-one
CID 82111928
N'-methyl-3-phenylbenzohydrazide
CID 142295291
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-phenylbenzamide
CID 110359324
N-(2-methylsulfanylethyl)-3-phenylbenzamide
CID 67213717
N'-[2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide
CID 9273964
3-oxo-2-(2-phenylethyl)-4H-1,4-benzoxazine-7-carboxylic acid
CID 142671786
3-methyl-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]butanamide
CID 110404296

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]-3-phenylbenzamide?
The IUPAC name of N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]-3-phenylbenzamide (CID 110404689) is N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]-3-phenylbenzamide.
What is the SMILES notation for N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]-3-phenylbenzamide?
The canonical SMILES for N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]-3-phenylbenzamide is O=C(NCCC1Oc2ccccc2NC1=O)c1cccc(-c2ccccc2)c1.
What is the InChIKey of N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]-3-phenylbenzamide?
The InChIKey is ZVUMBQVKYJMQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c26-22(18-10-6-9-17(15-18)16-7-2-1-3-8-16)24-14-13-21-23(27)25-19-11-4-5-12-20(19)28-21/h1-12,15,21H,13-14H2,(H,24,26)(H,25,27).
What are the key properties of N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]-3-phenylbenzamide?
N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]-3-phenylbenzamide has a molecular weight of 372.42 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]-3-phenylbenzamide is sourced from PubChem (CID 110404689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).