11-(4-chlorobenzoyl)-14-ethyl-3-(2-methylpropyl)-3,11,14-triazadispiro[5.1.58.26]pentadecan-15-one

C25H36ClN3O2 — CID 97439265

IUPAC11-(4-chlorobenzoyl)-14-ethyl-3-(2-methylpropyl)-3,11,14-triazadispiro[5.1.58.26]pentadecan-15-one
SMILESCCN1C(=O)C2(CCN(CC(C)C)CC2)CC12CCN(C(=O)c1ccc(Cl)cc1)CC2
InChIInChI=1S/C25H36ClN3O2/c1-4-29-23(31)24(9-13-27(14-10-24)17-19(2)3)18-25(29)11-15-28(16-12-25)22(30)20-5-7-21(26)8-6-20/h5-8,19H,4,9-18H2,1-3H3
InChIKeyFGPOWIHTJPRWAS-UHFFFAOYSA-N
MW446.04 g/mol
LogP4.31
Rot. Bonds4

About 11-(4-chlorobenzoyl)-14-ethyl-3-(2-methylpropyl)-3,11,14-triazadispiro[5.1.58.26]pentadecan-15-one

11-(4-chlorobenzoyl)-14-ethyl-3-(2-methylpropyl)-3,11,14-triazadispiro[5.1.58.26]pentadecan-15-one (PubChem CID 97439265) has the molecular formula C25H36ClN3O2 and a molecular weight of 446.04 g/mol. Its IUPAC name is 11-(4-chlorobenzoyl)-14-ethyl-3-(2-methylpropyl)-3,11,14-triazadispiro[5.1.58.26]pentadecan-15-one.

Molecular Properties

Compound Name11-(4-chlorobenzoyl)-14-ethyl-3-(2-methylpropyl)-3,11,14-triazadispiro[5.1.58.26]pentadecan-15-one
PubChem CID97439265
Molecular FormulaC25H36ClN3O2
Molecular Weight446.04 g/mol
Exact Mass445.25
IUPAC Name11-(4-chlorobenzoyl)-14-ethyl-3-(2-methylpropyl)-3,11,14-triazadispiro[5.1.58.26]pentadecan-15-one
SMILESCCN1C(=O)C2(CCN(CC(C)C)CC2)CC12CCN(C(=O)c1ccc(Cl)cc1)CC2
InChIInChI=1S/C25H36ClN3O2/c1-4-29-23(31)24(9-13-27(14-10-24)17-19(2)3)18-25(29)11-15-28(16-12-25)22(30)20-5-7-21(26)8-6-20/h5-8,19H,4,9-18H2,1-3H3
InChIKeyFGPOWIHTJPRWAS-UHFFFAOYSA-N
XLogP4.31
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.04
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 11-(4-chlorobenzoyl)-14-ethyl-3-(2-methylpropyl)-3,11,14-triazadispiro[5.1.58.26]pentadecan-15-one with MolForge

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Related Compounds

(3aS,6aR)-1'-(4-chlorobenzoyl)-5-ethyl-2-(2-methylpropyl)spiro[1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,4'-piperidine]-6-one
CID 98776561
(3aS,6aR)-2-acetyl-1'-(4-chlorobenzoyl)-5-ethylspiro[1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,4'-piperidine]-6-one
CID 97439206
(4-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 4740722
6-azaspiro[2.5]octan-6-yl-(4-chlorophenyl)methanone
CID 97374342
(5R)-3-ethyl-9-(4-ethylbenzoyl)-13-(2-methylpropyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 97439870
(4-chlorophenyl)-[1-(2-methylpropyl)piperidin-4-yl]methanone
CID 57128692
1-(4-chlorophenyl)-4-[4-(2-methylpropyl)piperazin-1-yl]butane-1,4-dione
CID 112765530
4-methyl-1'-(2-methylpropyl)spiro[3H-indene-2,4'-piperidine]-1-one
CID 175196797
8-(4-methylbenzoyl)-1,3-bis(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166621081
(4-chlorophenyl)-[9-[[2-(2-methylpropoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 69427957
[4-(aminomethyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride
CID 119831579
4-[3-methyl-1-(2-methylpropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl]benzonitrile
CID 165417513

Frequently Asked Questions

What is the IUPAC name of 11-(4-chlorobenzoyl)-14-ethyl-3-(2-methylpropyl)-3,11,14-triazadispiro[5.1.58.26]pentadecan-15-one?
The IUPAC name of 11-(4-chlorobenzoyl)-14-ethyl-3-(2-methylpropyl)-3,11,14-triazadispiro[5.1.58.26]pentadecan-15-one (CID 97439265) is 11-(4-chlorobenzoyl)-14-ethyl-3-(2-methylpropyl)-3,11,14-triazadispiro[5.1.58.26]pentadecan-15-one.
What is the SMILES notation for 11-(4-chlorobenzoyl)-14-ethyl-3-(2-methylpropyl)-3,11,14-triazadispiro[5.1.58.26]pentadecan-15-one?
The canonical SMILES for 11-(4-chlorobenzoyl)-14-ethyl-3-(2-methylpropyl)-3,11,14-triazadispiro[5.1.58.26]pentadecan-15-one is CCN1C(=O)C2(CCN(CC(C)C)CC2)CC12CCN(C(=O)c1ccc(Cl)cc1)CC2.
What is the InChIKey of 11-(4-chlorobenzoyl)-14-ethyl-3-(2-methylpropyl)-3,11,14-triazadispiro[5.1.58.26]pentadecan-15-one?
The InChIKey is FGPOWIHTJPRWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36ClN3O2/c1-4-29-23(31)24(9-13-27(14-10-24)17-19(2)3)18-25(29)11-15-28(16-12-25)22(30)20-5-7-21(26)8-6-20/h5-8,19H,4,9-18H2,1-3H3.
What are the key properties of 11-(4-chlorobenzoyl)-14-ethyl-3-(2-methylpropyl)-3,11,14-triazadispiro[5.1.58.26]pentadecan-15-one?
11-(4-chlorobenzoyl)-14-ethyl-3-(2-methylpropyl)-3,11,14-triazadispiro[5.1.58.26]pentadecan-15-one has a molecular weight of 446.04 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-chlorobenzoyl)-14-ethyl-3-(2-methylpropyl)-3,11,14-triazadispiro[5.1.58.26]pentadecan-15-one is sourced from PubChem (CID 97439265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).