N-[4-(4-ethyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)phenyl]acetamide

C21H20N2O4 — CID 4897785

IUPACN-[4-(4-ethyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)phenyl]acetamide
SMILESCCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(NC(C)=O)cc1)C3
InChIInChI=1S/C21H20N2O4/c1-3-14-10-20(25)27-21-17(14)8-9-19-18(21)11-23(12-26-19)16-6-4-15(5-7-16)22-13(2)24/h4-10H,3,11-12H2,1-2H3,(H,22,24)
InChIKeyNUCLLRIPWWBJPP-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.67
Rot. Bonds3

About N-[4-(4-ethyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)phenyl]acetamide

N-[4-(4-ethyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)phenyl]acetamide (PubChem CID 4897785) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-[4-(4-ethyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-ethyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)phenyl]acetamide
PubChem CID4897785
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC NameN-[4-(4-ethyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)phenyl]acetamide
SMILESCCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(NC(C)=O)cc1)C3
InChIInChI=1S/C21H20N2O4/c1-3-14-10-20(25)27-21-17(14)8-9-19-18(21)11-23(12-26-19)16-6-4-15(5-7-16)22-13(2)24/h4-10H,3,11-12H2,1-2H3,(H,22,24)
InChIKeyNUCLLRIPWWBJPP-UHFFFAOYSA-N
XLogP3.67
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-9-(1,3-thiazol-2-yl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
CID 4894986
9-(3,5-dimethylphenyl)-4-propyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
CID 944874
9-(3-bromophenyl)-4-propyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
CID 3785681
4-(4-methyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)benzenesulfonamide
CID 4895473
ethyl 4-(3-ethyl-4-methyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)benzoate
CID 20915636
4-methyl-9-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
CID 7645092
N-[4-(6,7,10-trimethyl-8-oxo-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-3-yl)phenyl]acetamide
CID 4972776
N-[3-(4-ethoxyphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]acetamide
CID 945487
6-chloro-9-(4-ethoxyphenyl)-4-ethyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
CID 3721926
N-[4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-2-oxochromen-7-yl]acetamide
CID 46559682
9-[(3S)-1,1-dioxothiolan-3-yl]-4-propyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
CID 41024761
6-chloro-9-(2-chlorophenyl)-4-ethyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
CID 3793446

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)phenyl]acetamide?
The IUPAC name of N-[4-(4-ethyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)phenyl]acetamide (CID 4897785) is N-[4-(4-ethyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(4-ethyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(4-ethyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)phenyl]acetamide is CCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(NC(C)=O)cc1)C3.
What is the InChIKey of N-[4-(4-ethyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)phenyl]acetamide?
The InChIKey is NUCLLRIPWWBJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-3-14-10-20(25)27-21-17(14)8-9-19-18(21)11-23(12-26-19)16-6-4-15(5-7-16)22-13(2)24/h4-10H,3,11-12H2,1-2H3,(H,22,24).
What are the key properties of N-[4-(4-ethyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)phenyl]acetamide?
N-[4-(4-ethyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)phenyl]acetamide has a molecular weight of 364.40 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)phenyl]acetamide is sourced from PubChem (CID 4897785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).