N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]-3-phenoxypropanamide

C20H22N2O4 — CID 110404823

IUPACN-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]-3-phenoxypropanamide
SMILESCN1C(=O)C(CCNC(=O)CCOc2ccccc2)Oc2ccccc21
InChIInChI=1S/C20H22N2O4/c1-22-16-9-5-6-10-17(16)26-18(20(22)24)11-13-21-19(23)12-14-25-15-7-3-2-4-8-15/h2-10,18H,11-14H2,1H3,(H,21,23)
InChIKeyWLCTWMUJPGDHLF-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.39
Rot. Bonds7

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

N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]-3-phenoxypropanamide (PubChem CID 110404823) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]-3-phenoxypropanamide
PubChem CID110404823
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]-3-phenoxypropanamide
SMILESCN1C(=O)C(CCNC(=O)CCOc2ccccc2)Oc2ccccc21
InChIInChI=1S/C20H22N2O4/c1-22-16-9-5-6-10-17(16)26-18(20(22)24)11-13-21-19(23)12-14-25-15-7-3-2-4-8-15/h2-10,18H,11-14H2,1H3,(H,21,23)
InChIKeyWLCTWMUJPGDHLF-UHFFFAOYSA-N
XLogP2.39
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]-2-phenylacetamide
CID 110404497
N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]-3-phenoxypropanamide
CID 110729890
2-chloro-6-fluoro-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzamide
CID 110404837
2-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]acetamide
CID 110404508
N-(2-acetamidoethyl)-3-phenoxypropanamide
CID 46684252
2-(4-fluorophenyl)-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]acetamide
CID 110404498
N-[2-(oxolan-2-yl)ethyl]-3-phenoxypropanamide
CID 75871156
3-[3-[(2R)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]propanoylamino]propanoic acid
CID 92942633
4-fluoro-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzamide
CID 110404478
N-[2-(1-methylpiperidin-4-yl)ethyl]-4-phenoxybutanamide
CID 50875549
3,3-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide
CID 108573551
3-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide
CID 108538519

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]-3-phenoxypropanamide?
The IUPAC name of N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]-3-phenoxypropanamide (CID 110404823) is N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]-3-phenoxypropanamide is CN1C(=O)C(CCNC(=O)CCOc2ccccc2)Oc2ccccc21.
What is the InChIKey of N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]-3-phenoxypropanamide?
The InChIKey is WLCTWMUJPGDHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-22-16-9-5-6-10-17(16)26-18(20(22)24)11-13-21-19(23)12-14-25-15-7-3-2-4-8-15/h2-10,18H,11-14H2,1H3,(H,21,23).
What are the key properties of N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]-3-phenoxypropanamide?
N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]-3-phenoxypropanamide has a molecular weight of 354.41 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]-3-phenoxypropanamide is sourced from PubChem (CID 110404823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).