N-[4-(8-benzyl-4-cyclohexylimino-2-oxo-1,3,8-triazaspiro[4.5]decan-1-yl)phenyl]acetamide

C28H35N5O2 — CID 135875804

IUPACN-[4-(8-benzyl-4-cyclohexylimino-2-oxo-1,3,8-triazaspiro[4.5]decan-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)N/C(=N\C3CCCCC3)C23CCN(Cc2ccccc2)CC3)cc1
InChIInChI=1S/C28H35N5O2/c1-21(34)29-24-12-14-25(15-13-24)33-27(35)31-26(30-23-10-6-3-7-11-23)28(33)16-18-32(19-17-28)20-22-8-4-2-5-9-22/h2,4-5,8-9,12-15,23H,3,6-7,10-11,16-20H2,1H3,(H,29,34)(H,30,31,35)
InChIKeyFPDCVNHEKYJTLH-UHFFFAOYSA-N
MW473.62 g/mol
LogP4.94
Rot. Bonds5

About N-[4-(8-benzyl-4-cyclohexylimino-2-oxo-1,3,8-triazaspiro[4.5]decan-1-yl)phenyl]acetamide

N-[4-(8-benzyl-4-cyclohexylimino-2-oxo-1,3,8-triazaspiro[4.5]decan-1-yl)phenyl]acetamide (PubChem CID 135875804) has the molecular formula C28H35N5O2 and a molecular weight of 473.62 g/mol. Its IUPAC name is N-[4-(8-benzyl-4-cyclohexylimino-2-oxo-1,3,8-triazaspiro[4.5]decan-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(8-benzyl-4-cyclohexylimino-2-oxo-1,3,8-triazaspiro[4.5]decan-1-yl)phenyl]acetamide
PubChem CID135875804
Molecular FormulaC28H35N5O2
Molecular Weight473.62 g/mol
Exact Mass473.28
IUPAC NameN-[4-(8-benzyl-4-cyclohexylimino-2-oxo-1,3,8-triazaspiro[4.5]decan-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)N/C(=N\C3CCCCC3)C23CCN(Cc2ccccc2)CC3)cc1
InChIInChI=1S/C28H35N5O2/c1-21(34)29-24-12-14-25(15-13-24)33-27(35)31-26(30-23-10-6-3-7-11-23)28(33)16-18-32(19-17-28)20-22-8-4-2-5-9-22/h2,4-5,8-9,12-15,23H,3,6-7,10-11,16-20H2,1H3,(H,29,34)(H,30,31,35)
InChIKeyFPDCVNHEKYJTLH-UHFFFAOYSA-N
XLogP4.94
TPSA77.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(8-benzyl-4-cyclohexylimino-2-oxo-1,3,8-triazaspiro[4.5]decan-1-yl)phenyl]acetamide?
The IUPAC name of N-[4-(8-benzyl-4-cyclohexylimino-2-oxo-1,3,8-triazaspiro[4.5]decan-1-yl)phenyl]acetamide (CID 135875804) is N-[4-(8-benzyl-4-cyclohexylimino-2-oxo-1,3,8-triazaspiro[4.5]decan-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(8-benzyl-4-cyclohexylimino-2-oxo-1,3,8-triazaspiro[4.5]decan-1-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(8-benzyl-4-cyclohexylimino-2-oxo-1,3,8-triazaspiro[4.5]decan-1-yl)phenyl]acetamide is CC(=O)Nc1ccc(N2C(=O)N/C(=N\C3CCCCC3)C23CCN(Cc2ccccc2)CC3)cc1.
What is the InChIKey of N-[4-(8-benzyl-4-cyclohexylimino-2-oxo-1,3,8-triazaspiro[4.5]decan-1-yl)phenyl]acetamide?
The InChIKey is FPDCVNHEKYJTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O2/c1-21(34)29-24-12-14-25(15-13-24)33-27(35)31-26(30-23-10-6-3-7-11-23)28(33)16-18-32(19-17-28)20-22-8-4-2-5-9-22/h2,4-5,8-9,12-15,23H,3,6-7,10-11,16-20H2,1H3,(H,29,34)(H,30,31,35).
What are the key properties of N-[4-(8-benzyl-4-cyclohexylimino-2-oxo-1,3,8-triazaspiro[4.5]decan-1-yl)phenyl]acetamide?
N-[4-(8-benzyl-4-cyclohexylimino-2-oxo-1,3,8-triazaspiro[4.5]decan-1-yl)phenyl]acetamide has a molecular weight of 473.62 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(8-benzyl-4-cyclohexylimino-2-oxo-1,3,8-triazaspiro[4.5]decan-1-yl)phenyl]acetamide is sourced from PubChem (CID 135875804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).