2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)benzamide

C17H17N3O4 — CID 142955436

IUPAC2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)benzamide
SMILESNc1ccccc1C(=O)NC(=O)NCc1ccc2c(c1)OCCO2
InChIInChI=1S/C17H17N3O4/c18-13-4-2-1-3-12(13)16(21)20-17(22)19-10-11-5-6-14-15(9-11)24-8-7-23-14/h1-6,9H,7-8,10,18H2,(H2,19,20,21,22)
InChIKeyBJTXWEUGQNQQTC-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.68
Rot. Bonds3

About 2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)benzamide

2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)benzamide (PubChem CID 142955436) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)benzamide.

Molecular Properties

Compound Name2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)benzamide
PubChem CID142955436
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)benzamide
SMILESNc1ccccc1C(=O)NC(=O)NCc1ccc2c(c1)OCCO2
InChIInChI=1S/C17H17N3O4/c18-13-4-2-1-3-12(13)16(21)20-17(22)19-10-11-5-6-14-15(9-11)24-8-7-23-14/h1-6,9H,7-8,10,18H2,(H2,19,20,21,22)
InChIKeyBJTXWEUGQNQQTC-UHFFFAOYSA-N
XLogP1.68
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(4-methylphenyl)methylcarbamoyl]benzamide
CID 108899120
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(2-hydroxyethyl)urea
CID 71894166
N-(1,3-benzodioxol-5-ylmethylcarbamoyl)furan-2-carboxamide
CID 110866090
1-(2-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)urea
CID 51168557
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenoxybenzamide
CID 27761128
2-amino-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-oxopropanoic acid
CID 115179287
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-ethylbutanamide
CID 47097422
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3,4,5-tetrafluorobenzamide
CID 112794847
2-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)benzene-1,2-diamine
CID 115124436
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)furan-2-carboxamide
CID 27761113
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(furan-3-ylmethyl)urea
CID 51083551
2-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butanamide
CID 65229122

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)benzamide?
The IUPAC name of 2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)benzamide (CID 142955436) is 2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)benzamide.
What is the SMILES notation for 2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)benzamide?
The canonical SMILES for 2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)benzamide is Nc1ccccc1C(=O)NC(=O)NCc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)benzamide?
The InChIKey is BJTXWEUGQNQQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c18-13-4-2-1-3-12(13)16(21)20-17(22)19-10-11-5-6-14-15(9-11)24-8-7-23-14/h1-6,9H,7-8,10,18H2,(H2,19,20,21,22).
What are the key properties of 2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)benzamide?
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)benzamide has a molecular weight of 327.34 g/mol, XLogP of 1.68, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)benzamide is sourced from PubChem (CID 142955436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).