N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-carbamoyl-1-benzofuran-3-yl)oxamide

C19H15N3O6 — CID 18587361

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N'-(2-carbamoyl-1-benzofuran-3-yl)oxamide
SMILESNC(=O)c1oc2ccccc2c1NC(=O)C(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C19H15N3O6/c20-17(23)16-15(11-3-1-2-4-12(11)28-16)22-19(25)18(24)21-8-10-5-6-13-14(7-10)27-9-26-13/h1-7H,8-9H2,(H2,20,23)(H,21,24)(H,22,25)
InChIKeyQHFMKNINNCQOMB-UHFFFAOYSA-N
MW381.34 g/mol
LogP1.52
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-carbamoyl-1-benzofuran-3-yl)oxamide

N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-carbamoyl-1-benzofuran-3-yl)oxamide (PubChem CID 18587361) has the molecular formula C19H15N3O6 and a molecular weight of 381.34 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-carbamoyl-1-benzofuran-3-yl)oxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N'-(2-carbamoyl-1-benzofuran-3-yl)oxamide
PubChem CID18587361
Molecular FormulaC19H15N3O6
Molecular Weight381.34 g/mol
Exact Mass381.10
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N'-(2-carbamoyl-1-benzofuran-3-yl)oxamide
SMILESNC(=O)c1oc2ccccc2c1NC(=O)C(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C19H15N3O6/c20-17(23)16-15(11-3-1-2-4-12(11)28-16)22-19(25)18(24)21-8-10-5-6-13-14(7-10)27-9-26-13/h1-7H,8-9H2,(H2,20,23)(H,21,24)(H,22,25)
InChIKeyQHFMKNINNCQOMB-UHFFFAOYSA-N
XLogP1.52
TPSA132.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N'-(2,6-dichlorophenyl)oxamide
CID 108508618
N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-carbamoylphenyl)oxamide
CID 7584983
N'-(1,3-benzodioxol-5-ylmethyl)oxamide
CID 3122126
N-(1,3-benzodioxol-5-ylmethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 4789921
N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108508569
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
CID 4783374
N'-(1,3-benzodioxol-5-ylmethyl)-N-[(4-chlorophenyl)methyl]oxamide
CID 7769074
N-(1,3-benzodioxol-5-ylmethyl)-N'-(3-fluorophenyl)oxamide
CID 3136649
ethyl 3-(1,3-benzodioxole-5-carbonylamino)-1-benzofuran-2-carboxylate
CID 3236920
N'-(1,3-benzodioxol-5-ylmethyl)-N-[3-(1-benzofuran-2-yl)propyl]oxamide
CID 119103420
4-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-2-oxobutanamide
CID 58348844
3-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide;hydrochloride
CID 51051992

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-carbamoyl-1-benzofuran-3-yl)oxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-carbamoyl-1-benzofuran-3-yl)oxamide (CID 18587361) is N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-carbamoyl-1-benzofuran-3-yl)oxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-carbamoyl-1-benzofuran-3-yl)oxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-carbamoyl-1-benzofuran-3-yl)oxamide is NC(=O)c1oc2ccccc2c1NC(=O)C(=O)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-carbamoyl-1-benzofuran-3-yl)oxamide?
The InChIKey is QHFMKNINNCQOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O6/c20-17(23)16-15(11-3-1-2-4-12(11)28-16)22-19(25)18(24)21-8-10-5-6-13-14(7-10)27-9-26-13/h1-7H,8-9H2,(H2,20,23)(H,21,24)(H,22,25).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-carbamoyl-1-benzofuran-3-yl)oxamide?
N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-carbamoyl-1-benzofuran-3-yl)oxamide has a molecular weight of 381.34 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-carbamoyl-1-benzofuran-3-yl)oxamide is sourced from PubChem (CID 18587361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).