N-(1-cyanocyclohexyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide

C18H26N4O3 — CID 7431155

IUPACN-(1-cyanocyclohexyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
SMILESN#CC1(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)CCCCC1
InChIInChI=1S/C18H26N4O3/c19-13-17(8-4-3-5-9-17)20-14(23)12-22-15(24)18(21-16(22)25)10-6-1-2-7-11-18/h1-12H2,(H,20,23)(H,21,25)
InChIKeyRQUJWSVOOFHHAR-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.97
Rot. Bonds3

About N-(1-cyanocyclohexyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide

N-(1-cyanocyclohexyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide (PubChem CID 7431155) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
PubChem CID7431155
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-(1-cyanocyclohexyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
SMILESN#CC1(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)CCCCC1
InChIInChI=1S/C18H26N4O3/c19-13-17(8-4-3-5-9-17)20-14(23)12-22-15(24)18(21-16(22)25)10-6-1-2-7-11-18/h1-12H2,(H,20,23)(H,21,25)
InChIKeyRQUJWSVOOFHHAR-UHFFFAOYSA-N
XLogP1.97
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide (CID 7431155) is N-(1-cyanocyclohexyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide is N#CC1(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide?
The InChIKey is RQUJWSVOOFHHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c19-13-17(8-4-3-5-9-17)20-14(23)12-22-15(24)18(21-16(22)25)10-6-1-2-7-11-18/h1-12H2,(H,20,23)(H,21,25).
What are the key properties of N-(1-cyanocyclohexyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide?
N-(1-cyanocyclohexyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide has a molecular weight of 346.43 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide is sourced from PubChem (CID 7431155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).