N-[2-(3-methylphenoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C22H19NO4 — CID 17428929

IUPACN-[2-(3-methylphenoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCc1cccc(Oc2ccccc2NC(=O)C2COc3ccccc3O2)c1
InChIInChI=1S/C22H19NO4/c1-15-7-6-8-16(13-15)26-18-10-3-2-9-17(18)23-22(24)21-14-25-19-11-4-5-12-20(19)27-21/h2-13,21H,14H2,1H3,(H,23,24)
InChIKeyPWJXVNVHJSKORA-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.57
Rot. Bonds4

About N-[2-(3-methylphenoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-[2-(3-methylphenoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 17428929) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[2-(3-methylphenoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methylphenoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID17428929
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC NameN-[2-(3-methylphenoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCc1cccc(Oc2ccccc2NC(=O)C2COc3ccccc3O2)c1
InChIInChI=1S/C22H19NO4/c1-15-7-6-8-16(13-15)26-18-10-3-2-9-17(18)23-22(24)21-14-25-19-11-4-5-12-20(19)27-21/h2-13,21H,14H2,1H3,(H,23,24)
InChIKeyPWJXVNVHJSKORA-UHFFFAOYSA-N
XLogP4.57
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(3-methylphenoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-[2-(4-ethoxyphenoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 8873811
(3S)-N'-[2-(3-methylphenoxy)acetyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 7728635
N-(2-amino-5-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 115912259
N-[2-(3-methylphenoxy)phenyl]piperidine-4-carboxamide
CID 119266446
(2S,5R)-5-(aminomethyl)-N-[2-(3-methylphenoxy)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120783599
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 17485174
N-[2-(3-fluorophenoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60557145
(3R)-N-(2,5-diethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 857312
(3R)-N-(2-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 724290
ethyl 2-[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]benzoate
CID 687625
(3R)-N-(2-propan-2-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 724295
(3R)-N-(2-ethylsulfanylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7463995

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-[2-(3-methylphenoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 17428929) is N-[2-(3-methylphenoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-[2-(3-methylphenoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-[2-(3-methylphenoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is Cc1cccc(Oc2ccccc2NC(=O)C2COc3ccccc3O2)c1.
What is the InChIKey of N-[2-(3-methylphenoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is PWJXVNVHJSKORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-15-7-6-8-16(13-15)26-18-10-3-2-9-17(18)23-22(24)21-14-25-19-11-4-5-12-20(19)27-21/h2-13,21H,14H2,1H3,(H,23,24).
What are the key properties of N-[2-(3-methylphenoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-[2-(3-methylphenoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 17428929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).