N-[2-(4-methyl-7-oxo-1,3-benzoxazin-2-yl)ethyl]-2-phenylacetamide

C19H18N2O3 — CID 56975205

IUPACN-[2-(4-methyl-7-oxo-1,3-benzoxazin-2-yl)ethyl]-2-phenylacetamide
SMILESCc1nc(CCNC(=O)Cc2ccccc2)oc2cc(=O)ccc1-2
InChIInChI=1S/C19H18N2O3/c1-13-16-8-7-15(22)12-17(16)24-19(21-13)9-10-20-18(23)11-14-5-3-2-4-6-14/h2-8,12H,9-11H2,1H3,(H,20,23)
InChIKeyZVZZVRXBCHRWBG-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.35
Rot. Bonds5

About N-[2-(4-methyl-7-oxo-1,3-benzoxazin-2-yl)ethyl]-2-phenylacetamide

N-[2-(4-methyl-7-oxo-1,3-benzoxazin-2-yl)ethyl]-2-phenylacetamide (PubChem CID 56975205) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-[2-(4-methyl-7-oxo-1,3-benzoxazin-2-yl)ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(4-methyl-7-oxo-1,3-benzoxazin-2-yl)ethyl]-2-phenylacetamide
PubChem CID56975205
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-[2-(4-methyl-7-oxo-1,3-benzoxazin-2-yl)ethyl]-2-phenylacetamide
SMILESCc1nc(CCNC(=O)Cc2ccccc2)oc2cc(=O)ccc1-2
InChIInChI=1S/C19H18N2O3/c1-13-16-8-7-15(22)12-17(16)24-19(21-13)9-10-20-18(23)11-14-5-3-2-4-6-14/h2-8,12H,9-11H2,1H3,(H,20,23)
InChIKeyZVZZVRXBCHRWBG-UHFFFAOYSA-N
XLogP2.35
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methyl-7-oxo-1,3-benzoxazin-2-yl)ethyl]-1H-indole-2-carboxamide
CID 57211886
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide
CID 110711803
N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylacetamide
CID 110323634
N-[2-(6-hydroxy-1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide
CID 57136713
N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-2-phenylacetamide
CID 110641249
2-(3-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 106413391
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(3-chlorophenyl)acetamide
CID 110711846
N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-3-phenylpropanamide
CID 110718749
2-(4-methoxyphenyl)-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]acetamide
CID 110321732
N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]-2-phenylacetamide
CID 110791481
2-(4-fluorophenyl)-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]acetamide
CID 110321192
N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-2-phenylacetamide
CID 141386663

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-7-oxo-1,3-benzoxazin-2-yl)ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-(4-methyl-7-oxo-1,3-benzoxazin-2-yl)ethyl]-2-phenylacetamide (CID 56975205) is N-[2-(4-methyl-7-oxo-1,3-benzoxazin-2-yl)ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(4-methyl-7-oxo-1,3-benzoxazin-2-yl)ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(4-methyl-7-oxo-1,3-benzoxazin-2-yl)ethyl]-2-phenylacetamide is Cc1nc(CCNC(=O)Cc2ccccc2)oc2cc(=O)ccc1-2.
What is the InChIKey of N-[2-(4-methyl-7-oxo-1,3-benzoxazin-2-yl)ethyl]-2-phenylacetamide?
The InChIKey is ZVZZVRXBCHRWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-13-16-8-7-15(22)12-17(16)24-19(21-13)9-10-20-18(23)11-14-5-3-2-4-6-14/h2-8,12H,9-11H2,1H3,(H,20,23).
What are the key properties of N-[2-(4-methyl-7-oxo-1,3-benzoxazin-2-yl)ethyl]-2-phenylacetamide?
N-[2-(4-methyl-7-oxo-1,3-benzoxazin-2-yl)ethyl]-2-phenylacetamide has a molecular weight of 322.36 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-7-oxo-1,3-benzoxazin-2-yl)ethyl]-2-phenylacetamide is sourced from PubChem (CID 56975205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).