1-(3,5-dimethylphenyl)-3-(4H-furo[3,2-b]pyrrole-5-carbonylamino)urea

C16H16N4O3 — CID 24791551

IUPAC1-(3,5-dimethylphenyl)-3-(4H-furo[3,2-b]pyrrole-5-carbonylamino)urea
SMILESCc1cc(C)cc(NC(=O)NNC(=O)c2cc3occc3[nH]2)c1
InChIInChI=1S/C16H16N4O3/c1-9-5-10(2)7-11(6-9)17-16(22)20-19-15(21)13-8-14-12(18-13)3-4-23-14/h3-8,18H,1-2H3,(H,19,21)(H2,17,20,22)
InChIKeyXQFKDLRAJOEVFM-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.84
Rot. Bonds2

About 1-(3,5-dimethylphenyl)-3-(4H-furo[3,2-b]pyrrole-5-carbonylamino)urea

1-(3,5-dimethylphenyl)-3-(4H-furo[3,2-b]pyrrole-5-carbonylamino)urea (PubChem CID 24791551) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-(4H-furo[3,2-b]pyrrole-5-carbonylamino)urea.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-(4H-furo[3,2-b]pyrrole-5-carbonylamino)urea
PubChem CID24791551
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name1-(3,5-dimethylphenyl)-3-(4H-furo[3,2-b]pyrrole-5-carbonylamino)urea
SMILESCc1cc(C)cc(NC(=O)NNC(=O)c2cc3occc3[nH]2)c1
InChIInChI=1S/C16H16N4O3/c1-9-5-10(2)7-11(6-9)17-16(22)20-19-15(21)13-8-14-12(18-13)3-4-23-14/h3-8,18H,1-2H3,(H,19,21)(H2,17,20,22)
InChIKeyXQFKDLRAJOEVFM-UHFFFAOYSA-N
XLogP2.84
TPSA99.16 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-(4H-furo[3,2-b]pyrrole-5-carbonylamino)urea?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-(4H-furo[3,2-b]pyrrole-5-carbonylamino)urea (CID 24791551) is 1-(3,5-dimethylphenyl)-3-(4H-furo[3,2-b]pyrrole-5-carbonylamino)urea.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-(4H-furo[3,2-b]pyrrole-5-carbonylamino)urea?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-(4H-furo[3,2-b]pyrrole-5-carbonylamino)urea is Cc1cc(C)cc(NC(=O)NNC(=O)c2cc3occc3[nH]2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-(4H-furo[3,2-b]pyrrole-5-carbonylamino)urea?
The InChIKey is XQFKDLRAJOEVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-9-5-10(2)7-11(6-9)17-16(22)20-19-15(21)13-8-14-12(18-13)3-4-23-14/h3-8,18H,1-2H3,(H,19,21)(H2,17,20,22).
What are the key properties of 1-(3,5-dimethylphenyl)-3-(4H-furo[3,2-b]pyrrole-5-carbonylamino)urea?
1-(3,5-dimethylphenyl)-3-(4H-furo[3,2-b]pyrrole-5-carbonylamino)urea has a molecular weight of 312.33 g/mol, XLogP of 2.84, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-(4H-furo[3,2-b]pyrrole-5-carbonylamino)urea is sourced from PubChem (CID 24791551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).