N-(3,4-dimethoxyphenyl)-2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide

C19H22N2O4 — CID 22521575

IUPACN-(3,4-dimethoxyphenyl)-2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCCC1CN(C(=O)Nc2ccc(OC)c(OC)c2)c2ccccc2O1
InChIInChI=1S/C19H22N2O4/c1-4-14-12-21(15-7-5-6-8-16(15)25-14)19(22)20-13-9-10-17(23-2)18(11-13)24-3/h5-11,14H,4,12H2,1-3H3,(H,20,22)
InChIKeyNVYCAJPRKPICLE-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.91
Rot. Bonds4

About N-(3,4-dimethoxyphenyl)-2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide

N-(3,4-dimethoxyphenyl)-2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide (PubChem CID 22521575) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
PubChem CID22521575
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN-(3,4-dimethoxyphenyl)-2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCCC1CN(C(=O)Nc2ccc(OC)c(OC)c2)c2ccccc2O1
InChIInChI=1S/C19H22N2O4/c1-4-14-12-21(15-7-5-6-8-16(15)25-14)19(22)20-13-9-10-17(23-2)18(11-13)24-3/h5-11,14H,4,12H2,1-3H3,(H,20,22)
InChIKeyNVYCAJPRKPICLE-UHFFFAOYSA-N
XLogP3.91
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521581
(2S)-2-ethyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 92682537
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521341
6-chloro-N-(3,4-dimethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521456
methyl 3-[(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)amino]propanoate
CID 46272188
(2S)-2-ethyl-6-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 1431999
(4,6-dimethoxypyrimidin-2-yl)-(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 136561116
N-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide
CID 113111056
(2R)-N-(1-adamantyl)-2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 92682539
(3R)-N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 846491
N-(3,4-dimethoxyphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 2210416
2-amino-N-(3,4-dimethoxyphenyl)-4,5-dihydroimidazole-1-carboxamide;hydrate;hydrochloride
CID 13458499

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide (CID 22521575) is N-(3,4-dimethoxyphenyl)-2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide is CCC1CN(C(=O)Nc2ccc(OC)c(OC)c2)c2ccccc2O1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The InChIKey is NVYCAJPRKPICLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-4-14-12-21(15-7-5-6-8-16(15)25-14)19(22)20-13-9-10-17(23-2)18(11-13)24-3/h5-11,14H,4,12H2,1-3H3,(H,20,22).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
N-(3,4-dimethoxyphenyl)-2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide is sourced from PubChem (CID 22521575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).