4-(oxan-4-ylidenemethylcarbamoylamino)benzamide

C14H17N3O3 — CID 108913299

IUPAC4-(oxan-4-ylidenemethylcarbamoylamino)benzamide
SMILESNC(=O)c1ccc(NC(=O)NC=C2CCOCC2)cc1
InChIInChI=1S/C14H17N3O3/c15-13(18)11-1-3-12(4-2-11)17-14(19)16-9-10-5-7-20-8-6-10/h1-4,9H,5-8H2,(H2,15,18)(H2,16,17,19)
InChIKeyIKPITULZZLXLQY-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.60
Rot. Bonds3

About 4-(oxan-4-ylidenemethylcarbamoylamino)benzamide

4-(oxan-4-ylidenemethylcarbamoylamino)benzamide (PubChem CID 108913299) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-(oxan-4-ylidenemethylcarbamoylamino)benzamide.

Molecular Properties

Compound Name4-(oxan-4-ylidenemethylcarbamoylamino)benzamide
PubChem CID108913299
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name4-(oxan-4-ylidenemethylcarbamoylamino)benzamide
SMILESNC(=O)c1ccc(NC(=O)NC=C2CCOCC2)cc1
InChIInChI=1S/C14H17N3O3/c15-13(18)11-1-3-12(4-2-11)17-14(19)16-9-10-5-7-20-8-6-10/h1-4,9H,5-8H2,(H2,15,18)(H2,16,17,19)
InChIKeyIKPITULZZLXLQY-UHFFFAOYSA-N
XLogP1.60
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-ylidenemethylcarbamoylamino)benzamide?
The IUPAC name of 4-(oxan-4-ylidenemethylcarbamoylamino)benzamide (CID 108913299) is 4-(oxan-4-ylidenemethylcarbamoylamino)benzamide.
What is the SMILES notation for 4-(oxan-4-ylidenemethylcarbamoylamino)benzamide?
The canonical SMILES for 4-(oxan-4-ylidenemethylcarbamoylamino)benzamide is NC(=O)c1ccc(NC(=O)NC=C2CCOCC2)cc1.
What is the InChIKey of 4-(oxan-4-ylidenemethylcarbamoylamino)benzamide?
The InChIKey is IKPITULZZLXLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c15-13(18)11-1-3-12(4-2-11)17-14(19)16-9-10-5-7-20-8-6-10/h1-4,9H,5-8H2,(H2,15,18)(H2,16,17,19).
What are the key properties of 4-(oxan-4-ylidenemethylcarbamoylamino)benzamide?
4-(oxan-4-ylidenemethylcarbamoylamino)benzamide has a molecular weight of 275.31 g/mol, XLogP of 1.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-ylidenemethylcarbamoylamino)benzamide is sourced from PubChem (CID 108913299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).