13-acetyl-3-methyl-9-(2-methylpropanoyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one

C18H29N3O3 — CID 134077067

IUPAC13-acetyl-3-methyl-9-(2-methylpropanoyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
SMILESCC(=O)N1CC2(CCN(C(=O)C(C)C)CC2)C2(CCN(C)C2=O)C1
InChIInChI=1S/C18H29N3O3/c1-13(2)15(23)20-9-5-17(6-10-20)11-21(14(3)22)12-18(17)7-8-19(4)16(18)24/h13H,5-12H2,1-4H3
InChIKeySEMJDRUDWIUVSD-UHFFFAOYSA-N
MW335.45 g/mol
LogP0.96
Rot. Bonds1

About 13-acetyl-3-methyl-9-(2-methylpropanoyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one

13-acetyl-3-methyl-9-(2-methylpropanoyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one (PubChem CID 134077067) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 13-acetyl-3-methyl-9-(2-methylpropanoyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one.

Molecular Properties

Compound Name13-acetyl-3-methyl-9-(2-methylpropanoyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
PubChem CID134077067
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name13-acetyl-3-methyl-9-(2-methylpropanoyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
SMILESCC(=O)N1CC2(CCN(C(=O)C(C)C)CC2)C2(CCN(C)C2=O)C1
InChIInChI=1S/C18H29N3O3/c1-13(2)15(23)20-9-5-17(6-10-20)11-21(14(3)22)12-18(17)7-8-19(4)16(18)24/h13H,5-12H2,1-4H3
InChIKeySEMJDRUDWIUVSD-UHFFFAOYSA-N
XLogP0.96
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 13-acetyl-3-methyl-9-(2-methylpropanoyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one with MolForge

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Related Compounds

(3aS,6aR)-2-methyl-1'-(2-methylpropanoyl)-5-(2-methylpropyl)spiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-1-one
CID 97522197
(3aS,6aR)-5-acetyl-2-methyl-1'-(2-methylpropanoyl)spiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-1-one
CID 97522245
9,13-Diacetyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 118738721
13-acetyl-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide
CID 118738723
13-(Cyclopropylmethyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 118738758
9-(cyclopropylmethyl)-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide
CID 118742190
13-Acetyl-9-(cyclopropylmethyl)-3-ethyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 118742195
9-Acetyl-13-(2-methylpropyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 118742203
13-(Cyclopropylmethyl)-9-methyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 118745551
1-Cyclopentanecarbonyl-3-(pyrrolidine-1-carbonyl)piperidine
CID 53015061
(5S)-2-(cyclopentanecarbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42384848
(5S)-7-(cyclohexylmethyl)-2-(cyclopentanecarbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42557162

Frequently Asked Questions

What is the IUPAC name of 13-acetyl-3-methyl-9-(2-methylpropanoyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one?
The IUPAC name of 13-acetyl-3-methyl-9-(2-methylpropanoyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one (CID 134077067) is 13-acetyl-3-methyl-9-(2-methylpropanoyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one.
What is the SMILES notation for 13-acetyl-3-methyl-9-(2-methylpropanoyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one?
The canonical SMILES for 13-acetyl-3-methyl-9-(2-methylpropanoyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one is CC(=O)N1CC2(CCN(C(=O)C(C)C)CC2)C2(CCN(C)C2=O)C1.
What is the InChIKey of 13-acetyl-3-methyl-9-(2-methylpropanoyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one?
The InChIKey is SEMJDRUDWIUVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-13(2)15(23)20-9-5-17(6-10-20)11-21(14(3)22)12-18(17)7-8-19(4)16(18)24/h13H,5-12H2,1-4H3.
What are the key properties of 13-acetyl-3-methyl-9-(2-methylpropanoyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one?
13-acetyl-3-methyl-9-(2-methylpropanoyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one has a molecular weight of 335.45 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-acetyl-3-methyl-9-(2-methylpropanoyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one is sourced from PubChem (CID 134077067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).