(2S)-4-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

C19H22N2O4 — CID 94032393

IUPAC(2S)-4-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(CCOc2ccccc2OC)c2ccccc2O1
InChIInChI=1S/C19H22N2O4/c1-20-19(22)18-13-21(14-7-3-4-8-15(14)25-18)11-12-24-17-10-6-5-9-16(17)23-2/h3-10,18H,11-13H2,1-2H3,(H,20,22)/t18-/m0/s1
InChIKeyVGEKEPMSJIDNQB-SFHVURJKSA-N
MW342.40 g/mol
LogP2.09
Rot. Bonds6

About (2S)-4-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

(2S)-4-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (PubChem CID 94032393) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is (2S)-4-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
PubChem CID94032393
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name(2S)-4-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(CCOc2ccccc2OC)c2ccccc2O1
InChIInChI=1S/C19H22N2O4/c1-20-19(22)18-13-21(14-7-3-4-8-15(14)25-18)11-12-24-17-10-6-5-9-16(17)23-2/h3-10,18H,11-13H2,1-2H3,(H,20,22)/t18-/m0/s1
InChIKeyVGEKEPMSJIDNQB-SFHVURJKSA-N
XLogP2.09
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(2-ethoxyphenoxy)acetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 46616532
(2S)-4-[2-(3,4-dimethoxyphenyl)acetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 8945313
(2R)-4-[2-(4-acetyl-2-methoxyphenoxy)acetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 42235789
4-[2-(2-methoxyanilino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 42914286
(2S)-4-[4-(4-methoxyphenoxy)butanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 8946726
(2R)-4-[(3-carbamoylphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 94143734
(2R)-4-[2-(4-fluorophenoxy)acetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 8946308
(2R)-4-[2-(2-methoxy-5-methylphenyl)acetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 8946882
(2S)-4-[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 8945998
(2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 97201636
N,N-dimethyl-4-[2-(4-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 51110693
(2S)-N-methyl-4-(2-naphthalen-1-yloxyacetyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 26711422

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The IUPAC name of (2S)-4-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (CID 94032393) is (2S)-4-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for (2S)-4-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for (2S)-4-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide is CNC(=O)[C@@H]1CN(CCOc2ccccc2OC)c2ccccc2O1.
What is the InChIKey of (2S)-4-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The InChIKey is VGEKEPMSJIDNQB-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-20-19(22)18-13-21(14-7-3-4-8-15(14)25-18)11-12-24-17-10-6-5-9-16(17)23-2/h3-10,18H,11-13H2,1-2H3,(H,20,22)/t18-/m0/s1.
What are the key properties of (2S)-4-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
(2S)-4-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 94032393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).