N-[amino-(1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)methylidene]benzamide

C24H30N4O4 — CID 1405171

IUPACN-[amino-(1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)methylidene]benzamide
SMILESN/C(=N\C(=O)c1ccccc1)c1c(O)n(C2CCCCC2)c(=O)n(C2CCCCC2)c1=O
InChIInChI=1S/C24H30N4O4/c25-20(26-21(29)16-10-4-1-5-11-16)19-22(30)27(17-12-6-2-7-13-17)24(32)28(23(19)31)18-14-8-3-9-15-18/h1,4-5,10-11,17-18,30H,2-3,6-9,12-15H2,(H2,25,26,29)
InChIKeyCEPLKWBLEMTCLT-UHFFFAOYSA-N
MW438.53 g/mol
LogP3.27
Rot. Bonds4

About N-[amino-(1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)methylidene]benzamide

N-[amino-(1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)methylidene]benzamide (PubChem CID 1405171) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-[amino-(1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)methylidene]benzamide.

Molecular Properties

Compound NameN-[amino-(1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)methylidene]benzamide
PubChem CID1405171
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC NameN-[amino-(1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)methylidene]benzamide
SMILESN/C(=N\C(=O)c1ccccc1)c1c(O)n(C2CCCCC2)c(=O)n(C2CCCCC2)c1=O
InChIInChI=1S/C24H30N4O4/c25-20(26-21(29)16-10-4-1-5-11-16)19-22(30)27(17-12-6-2-7-13-17)24(32)28(23(19)31)18-14-8-3-9-15-18/h1,4-5,10-11,17-18,30H,2-3,6-9,12-15H2,(H2,25,26,29)
InChIKeyCEPLKWBLEMTCLT-UHFFFAOYSA-N
XLogP3.27
TPSA119.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[amino-(1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)methylidene]benzamide?
The IUPAC name of N-[amino-(1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)methylidene]benzamide (CID 1405171) is N-[amino-(1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)methylidene]benzamide.
What is the SMILES notation for N-[amino-(1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)methylidene]benzamide?
The canonical SMILES for N-[amino-(1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)methylidene]benzamide is N/C(=N\C(=O)c1ccccc1)c1c(O)n(C2CCCCC2)c(=O)n(C2CCCCC2)c1=O.
What is the InChIKey of N-[amino-(1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)methylidene]benzamide?
The InChIKey is CEPLKWBLEMTCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c25-20(26-21(29)16-10-4-1-5-11-16)19-22(30)27(17-12-6-2-7-13-17)24(32)28(23(19)31)18-14-8-3-9-15-18/h1,4-5,10-11,17-18,30H,2-3,6-9,12-15H2,(H2,25,26,29).
What are the key properties of N-[amino-(1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)methylidene]benzamide?
N-[amino-(1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)methylidene]benzamide has a molecular weight of 438.53 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-(1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)methylidene]benzamide is sourced from PubChem (CID 1405171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).