2-[8-(4-chlorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-cyclohexylacetamide

C28H33ClN4O3 — CID 46122196

IUPAC2-[8-(4-chlorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-cyclohexylacetamide
SMILESO=C(CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc(Cl)cc3)CC2)C1=O)NC1CCCCC1
InChIInChI=1S/C28H33ClN4O3/c29-22-13-11-21(12-14-22)26(35)31-17-15-28(16-18-31)27(36)32(20-33(28)24-9-5-2-6-10-24)19-25(34)30-23-7-3-1-4-8-23/h2,5-6,9-14,23H,1,3-4,7-8,15-20H2,(H,30,34)
InChIKeyPZTCIHVUOAJNNV-UHFFFAOYSA-N
MW509.05 g/mol
LogP4.07
Rot. Bonds5

About 2-[8-(4-chlorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-cyclohexylacetamide

2-[8-(4-chlorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-cyclohexylacetamide (PubChem CID 46122196) has the molecular formula C28H33ClN4O3 and a molecular weight of 509.05 g/mol. Its IUPAC name is 2-[8-(4-chlorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[8-(4-chlorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-cyclohexylacetamide
PubChem CID46122196
Molecular FormulaC28H33ClN4O3
Molecular Weight509.05 g/mol
Exact Mass508.22
IUPAC Name2-[8-(4-chlorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-cyclohexylacetamide
SMILESO=C(CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc(Cl)cc3)CC2)C1=O)NC1CCCCC1
InChIInChI=1S/C28H33ClN4O3/c29-22-13-11-21(12-14-22)26(35)31-17-15-28(16-18-31)27(36)32(20-33(28)24-9-5-2-6-10-24)19-25(34)30-23-7-3-1-4-8-23/h2,5-6,9-14,23H,1,3-4,7-8,15-20H2,(H,30,34)
InChIKeyPZTCIHVUOAJNNV-UHFFFAOYSA-N
XLogP4.07
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.05
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[8-(4-tert-butylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-cyclopropylacetamide
CID 3410777
2-[8-(4-chlorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(4-fluorophenyl)acetamide
CID 3936917
2-[8-(benzenesulfonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-cyclohexylacetamide
CID 4104485
(3R)-N-[(1S)-1-(4-chlorophenyl)-2-[3-[2-(cyclohexylamino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 58357908
2-[8-(3-chlorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide
CID 3903647
N-cyclohexyl-4-oxo-3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 92953458
2-[8-(4-fluorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide
CID 5194401
N-[2-(2,4-dichlorophenyl)ethyl]-2-[4-oxo-1-phenyl-8-(4-phenylbenzoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 3940727
3-[2-(cyclopropylamino)-2-oxoethyl]-4-oxo-1-phenyl-N-(4-propan-2-ylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 3276961
2-[8-(2,4-dichlorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-phenylacetamide
CID 3509588
2-[8-(3,5-dichlorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2-methylbutyl)acetamide
CID 4199118
2-[8-(4-butoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 4285143

Frequently Asked Questions

What is the IUPAC name of 2-[8-(4-chlorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-cyclohexylacetamide?
The IUPAC name of 2-[8-(4-chlorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-cyclohexylacetamide (CID 46122196) is 2-[8-(4-chlorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[8-(4-chlorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[8-(4-chlorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-cyclohexylacetamide is O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc(Cl)cc3)CC2)C1=O)NC1CCCCC1.
What is the InChIKey of 2-[8-(4-chlorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-cyclohexylacetamide?
The InChIKey is PZTCIHVUOAJNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33ClN4O3/c29-22-13-11-21(12-14-22)26(35)31-17-15-28(16-18-31)27(36)32(20-33(28)24-9-5-2-6-10-24)19-25(34)30-23-7-3-1-4-8-23/h2,5-6,9-14,23H,1,3-4,7-8,15-20H2,(H,30,34).
What are the key properties of 2-[8-(4-chlorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-cyclohexylacetamide?
2-[8-(4-chlorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-cyclohexylacetamide has a molecular weight of 509.05 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(4-chlorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-cyclohexylacetamide is sourced from PubChem (CID 46122196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).