N-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylcarbamoyl)formamide

C16H12N2O6 — CID 87890859

IUPACN-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylcarbamoyl)formamide
SMILESO=CN(C(=O)Nc1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H12N2O6/c19-7-18(11-2-4-13-15(6-11)24-9-22-13)16(20)17-10-1-3-12-14(5-10)23-8-21-12/h1-7H,8-9H2,(H,17,20)
InChIKeyOIERQBDHUCZGHS-UHFFFAOYSA-N
MW328.28 g/mol
LogP2.34
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylcarbamoyl)formamide

N-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylcarbamoyl)formamide (PubChem CID 87890859) has the molecular formula C16H12N2O6 and a molecular weight of 328.28 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylcarbamoyl)formamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylcarbamoyl)formamide
PubChem CID87890859
Molecular FormulaC16H12N2O6
Molecular Weight328.28 g/mol
Exact Mass328.07
IUPAC NameN-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylcarbamoyl)formamide
SMILESO=CN(C(=O)Nc1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H12N2O6/c19-7-18(11-2-4-13-15(6-11)24-9-22-13)16(20)17-10-1-3-12-14(5-10)23-8-21-12/h1-7H,8-9H2,(H,17,20)
InChIKeyOIERQBDHUCZGHS-UHFFFAOYSA-N
XLogP2.34
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylcarbamoyl)formamide 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-(1,3-benzodioxol-5-ylcarbamoyl)-N-[4-(trifluoromethyl)phenyl]formamide
CID 22245929
N-(1,3-benzodioxol-5-yl)-N-[(3-chloro-4-methoxyphenyl)carbamoyl]formamide
CID 87890643
N-(1,3-benzodioxol-5-ylcarbamoyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]formamide
CID 22245951
N-(1,3-benzodioxol-5-yl)-N-[[3-(trifluoromethylsulfanyl)phenyl]carbamoyl]formamide
CID 87890265
N-(1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)carbamoyl]formamide
CID 87890470
1,3-bis(1,3-benzodioxol-5-yl)-1-methylurea
CID 167788947
N-(3-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)formamide
CID 22647661
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-iodophenyl)carbamoyl]formamide
CID 87843314
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-phenylphenyl)carbamoyl]formamide
CID 87843803
N-(1,3-benzodioxol-5-ylcarbamoyl)-N-[2,6-di(propan-2-yl)phenyl]formamide
CID 22245855
N-(1,3-benzodioxol-5-ylcarbamoyl)-N-(5-iodo-2-methylphenyl)formamide
CID 22245940
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-ethynylphenyl)carbamoyl]formamide
CID 87843542

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylcarbamoyl)formamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylcarbamoyl)formamide (CID 87890859) is N-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylcarbamoyl)formamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylcarbamoyl)formamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylcarbamoyl)formamide is O=CN(C(=O)Nc1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylcarbamoyl)formamide?
The InChIKey is OIERQBDHUCZGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O6/c19-7-18(11-2-4-13-15(6-11)24-9-22-13)16(20)17-10-1-3-12-14(5-10)23-8-21-12/h1-7H,8-9H2,(H,17,20).
What are the key properties of N-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylcarbamoyl)formamide?
N-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylcarbamoyl)formamide has a molecular weight of 328.28 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylcarbamoyl)formamide is sourced from PubChem (CID 87890859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).