N-benzyl-N-ethyl-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide

C20H22N2O3 — CID 110682928

IUPACN-benzyl-N-ethyl-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc2c(c1)OC(C)C(=O)N2C
InChIInChI=1S/C20H22N2O3/c1-4-22(13-15-8-6-5-7-9-15)20(24)16-10-11-17-18(12-16)25-14(2)19(23)21(17)3/h5-12,14H,4,13H2,1-3H3
InChIKeyFVRFSMPJKLHKKK-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.09
Rot. Bonds4

About N-benzyl-N-ethyl-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide

N-benzyl-N-ethyl-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide (PubChem CID 110682928) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide
PubChem CID110682928
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-benzyl-N-ethyl-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc2c(c1)OC(C)C(=O)N2C
InChIInChI=1S/C20H22N2O3/c1-4-22(13-15-8-6-5-7-9-15)20(24)16-10-11-17-18(12-16)25-14(2)19(23)21(17)3/h5-12,14H,4,13H2,1-3H3
InChIKeyFVRFSMPJKLHKKK-UHFFFAOYSA-N
XLogP3.09
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-7-(2-phenylprop-2-enoyl)-1,4-benzoxazin-3-one
CID 3077708
2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide
CID 116995057
2,4-dimethyl-7-(2-methylidenepentanoyl)-1,4-benzoxazin-3-one
CID 3077707
N-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 110683281
N-[2-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]benzamide
CID 110790097
6-benzoyl-2,4-dimethyl-1,4-benzoxazin-3-one
CID 44714874
N-benzyl-N-ethyl-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824199
3-[benzyl(ethyl)carbamoyl]benzoic acid
CID 43452784
3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl)-2-methylpropanoic acid
CID 116995010
N-benzyl-N-ethyl-1-methylbenzimidazole-5-carboxamide
CID 110692583
N-benzyl-3-(cyanomethyl)-N-ethylbenzamide
CID 78884014
3-[[[3-[[[3-[[[3-[[[3-[[[3-[[benzoyl(ethyl)amino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoic acid
CID 56590718

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide (CID 110682928) is N-benzyl-N-ethyl-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide is CCN(Cc1ccccc1)C(=O)c1ccc2c(c1)OC(C)C(=O)N2C.
What is the InChIKey of N-benzyl-N-ethyl-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide?
The InChIKey is FVRFSMPJKLHKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-4-22(13-15-8-6-5-7-9-15)20(24)16-10-11-17-18(12-16)25-14(2)19(23)21(17)3/h5-12,14H,4,13H2,1-3H3.
What are the key properties of N-benzyl-N-ethyl-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide?
N-benzyl-N-ethyl-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide is sourced from PubChem (CID 110682928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).