N-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-5-carboxamide

C16H15NO4 — CID 52775190

IUPACN-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESO=C(NOCc1ccccc1)c1cccc2c1OCCO2
InChIInChI=1S/C16H15NO4/c18-16(17-21-11-12-5-2-1-3-6-12)13-7-4-8-14-15(13)20-10-9-19-14/h1-8H,9-11H2,(H,17,18)
InChIKeyNKOQUUGQJMSBRC-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.32
Rot. Bonds4

About N-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-5-carboxamide

N-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-5-carboxamide (PubChem CID 52775190) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-5-carboxamide.

Molecular Properties

Compound NameN-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-5-carboxamide
PubChem CID52775190
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC NameN-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESO=C(NOCc1ccccc1)c1cccc2c1OCCO2
InChIInChI=1S/C16H15NO4/c18-16(17-21-11-12-5-2-1-3-6-12)13-7-4-8-14-15(13)20-10-9-19-14/h1-8H,9-11H2,(H,17,18)
InChIKeyNKOQUUGQJMSBRC-UHFFFAOYSA-N
XLogP2.32
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-5-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

N-(2-amino-2-oxoethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 63902687
N-(2-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 47455792
N-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 63733821
2-(2,3-dihydro-1,4-benzodioxine-5-carbonylamino)-3-hydroxypropanoic acid
CID 43614580
N-(1-benzylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide;hydrochloride
CID 20544688
N-[3-(bromomethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 114307285
N-(methylideneamino)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 163477302
3-bromo-2-fluoro-N-phenylmethoxybenzamide
CID 106544153
N-[(2S)-1-aminopropan-2-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;hydrochloride
CID 120505422
N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 21268047
N-[[2-(phenylmethoxymethyl)phenyl]methyl]-1,3-benzodioxole-4-carboxamide
CID 55835583
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-N-phenylmethoxypyrrole-3-carboxamide
CID 55567277

Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The IUPAC name of N-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-5-carboxamide (CID 52775190) is N-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-5-carboxamide.
What is the SMILES notation for N-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The canonical SMILES for N-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-5-carboxamide is O=C(NOCc1ccccc1)c1cccc2c1OCCO2.
What is the InChIKey of N-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The InChIKey is NKOQUUGQJMSBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c18-16(17-21-11-12-5-2-1-3-6-12)13-7-4-8-14-15(13)20-10-9-19-14/h1-8H,9-11H2,(H,17,18).
What are the key properties of N-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
N-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-5-carboxamide has a molecular weight of 285.30 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-5-carboxamide is sourced from PubChem (CID 52775190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).