N-[2-(3-methoxyphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide

C19H20N2O4 — CID 110682798

IUPACN-[2-(3-methoxyphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SMILESCOc1cccc(CCNC(=O)c2ccc3c(c2)OC(C)C(=O)N3)c1
InChIInChI=1S/C19H20N2O4/c1-12-18(22)21-16-7-6-14(11-17(16)25-12)19(23)20-9-8-13-4-3-5-15(10-13)24-2/h3-7,10-12H,8-9H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyFQGLDUKMILDCCH-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.39
Rot. Bonds5

About N-[2-(3-methoxyphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide

N-[2-(3-methoxyphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide (PubChem CID 110682798) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
PubChem CID110682798
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SMILESCOc1cccc(CCNC(=O)c2ccc3c(c2)OC(C)C(=O)N3)c1
InChIInChI=1S/C19H20N2O4/c1-12-18(22)21-16-7-6-14(11-17(16)25-12)19(23)20-9-8-13-4-3-5-15(10-13)24-2/h3-7,10-12H,8-9H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyFQGLDUKMILDCCH-UHFFFAOYSA-N
XLogP2.39
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 110682823
3-methyl-N-[2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide
CID 110790041
4-(aminomethyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 103794996
3-N-(2-methoxyethyl)-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109052520
4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 113098173
N-[2-(3-methoxyphenyl)ethyl]-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 75769078
N-[2-(3-methoxyphenyl)ethyl]furan-3-carboxamide
CID 47041893
3-(3-methoxyphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)propanamide
CID 110713428
N-benzyl-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 110682780
3,5-dibromo-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 107980616
2-methyl-N-[(3-methylphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110683036
N-[3-(3-methoxyphenyl)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 95172560

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide (CID 110682798) is N-[2-(3-methoxyphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide is COc1cccc(CCNC(=O)c2ccc3c(c2)OC(C)C(=O)N3)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The InChIKey is FQGLDUKMILDCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-12-18(22)21-16-7-6-14(11-17(16)25-12)19(23)20-9-8-13-4-3-5-15(10-13)24-2/h3-7,10-12H,8-9H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
N-[2-(3-methoxyphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide is sourced from PubChem (CID 110682798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).