(2S,3S)-N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C20H23NO4 — CID 51886179

IUPAC(2S,3S)-N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCOc1ccc(C)cc1CN(C)C(=O)[C@H]1Oc2ccccc2O[C@H]1C
InChIInChI=1S/C20H23NO4/c1-13-9-10-16(23-4)15(11-13)12-21(3)20(22)19-14(2)24-17-7-5-6-8-18(17)25-19/h5-11,14,19H,12H2,1-4H3/t14-,19-/m0/s1
InChIKeyWVWAZKNKKJRHLF-LIRRHRJNSA-N
MW341.41 g/mol
LogP3.19
Rot. Bonds4

About (2S,3S)-N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

(2S,3S)-N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 51886179) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is (2S,3S)-N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID51886179
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name(2S,3S)-N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCOc1ccc(C)cc1CN(C)C(=O)[C@H]1Oc2ccccc2O[C@H]1C
InChIInChI=1S/C20H23NO4/c1-13-9-10-16(23-4)15(11-13)12-21(3)20(22)19-14(2)24-17-7-5-6-8-18(17)25-19/h5-11,14,19H,12H2,1-4H3/t14-,19-/m0/s1
InChIKeyWVWAZKNKKJRHLF-LIRRHRJNSA-N
XLogP3.19
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S,3S)-N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide with MolForge

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 55579339
(2-methoxy-5-methylphenyl)methyl-methylcarbamic acid
CID 115170937
N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethylpropanamide
CID 60666350
(3R)-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7697200
2-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpropanamide
CID 107903015
3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 63045582
2-benzo[e][1]benzofuran-1-yl-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide
CID 9469786
2-(4-benzylpiperazin-1-yl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide
CID 30863225
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-naphthalen-2-yloxyacetamide
CID 9469697
1-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 81172694
2-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,3,3-trimethylbutanamide
CID 76896843
2,3-dichloro-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylbenzamide
CID 18118556

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of (2S,3S)-N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 51886179) is (2S,3S)-N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for (2S,3S)-N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide is COc1ccc(C)cc1CN(C)C(=O)[C@H]1Oc2ccccc2O[C@H]1C.
What is the InChIKey of (2S,3S)-N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is WVWAZKNKKJRHLF-LIRRHRJNSA-N. The full InChI is InChI=1S/C20H23NO4/c1-13-9-10-16(23-4)15(11-13)12-21(3)20(22)19-14(2)24-17-7-5-6-8-18(17)25-19/h5-11,14,19H,12H2,1-4H3/t14-,19-/m0/s1.
What are the key properties of (2S,3S)-N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
(2S,3S)-N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 51886179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).