14-ethyl-N,N-dimethyl-11-(3-methylbutanoyl)-15-oxo-3,11,14-triazadispiro[5.1.58.26]pentadecane-3-carboxamide

C22H38N4O3 — CID 97439280

IUPAC14-ethyl-N,N-dimethyl-11-(3-methylbutanoyl)-15-oxo-3,11,14-triazadispiro[5.1.58.26]pentadecane-3-carboxamide
SMILESCCN1C(=O)C2(CCN(C(=O)N(C)C)CC2)CC12CCN(C(=O)CC(C)C)CC2
InChIInChI=1S/C22H38N4O3/c1-6-26-19(28)21(7-11-25(12-8-21)20(29)23(4)5)16-22(26)9-13-24(14-10-22)18(27)15-17(2)3/h17H,6-16H2,1-5H3
InChIKeyWXKFKHAPSYZWQU-UHFFFAOYSA-N
MW406.57 g/mol
LogP2.41
Rot. Bonds3

About 14-ethyl-N,N-dimethyl-11-(3-methylbutanoyl)-15-oxo-3,11,14-triazadispiro[5.1.58.26]pentadecane-3-carboxamide

14-ethyl-N,N-dimethyl-11-(3-methylbutanoyl)-15-oxo-3,11,14-triazadispiro[5.1.58.26]pentadecane-3-carboxamide (PubChem CID 97439280) has the molecular formula C22H38N4O3 and a molecular weight of 406.57 g/mol. Its IUPAC name is 14-ethyl-N,N-dimethyl-11-(3-methylbutanoyl)-15-oxo-3,11,14-triazadispiro[5.1.58.26]pentadecane-3-carboxamide.

Molecular Properties

Compound Name14-ethyl-N,N-dimethyl-11-(3-methylbutanoyl)-15-oxo-3,11,14-triazadispiro[5.1.58.26]pentadecane-3-carboxamide
PubChem CID97439280
Molecular FormulaC22H38N4O3
Molecular Weight406.57 g/mol
Exact Mass406.29
IUPAC Name14-ethyl-N,N-dimethyl-11-(3-methylbutanoyl)-15-oxo-3,11,14-triazadispiro[5.1.58.26]pentadecane-3-carboxamide
SMILESCCN1C(=O)C2(CCN(C(=O)N(C)C)CC2)CC12CCN(C(=O)CC(C)C)CC2
InChIInChI=1S/C22H38N4O3/c1-6-26-19(28)21(7-11-25(12-8-21)20(29)23(4)5)16-22(26)9-13-24(14-10-22)18(27)15-17(2)3/h17H,6-16H2,1-5H3
InChIKeyWXKFKHAPSYZWQU-UHFFFAOYSA-N
XLogP2.41
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-Cyclopentyl-2-[(4-methylpiperazin-1-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72918288
N,N-Dimethyl-8-(3-methylbutyl)-9-oxo-2,8-diazaspiro[5.5]undecane-2-carboxamide
CID 72874295
3-(2-Methoxyethyl)-14-methyl-11-(3-methylbutanoyl)-3,11,14-triazadispiro[5.1.58.26]pentadecan-15-one
CID 97522325
3-N,3-N,14-trimethyl-15-oxo-11-N-propan-2-yl-3,11,14-triazadispiro[5.1.58.26]pentadecane-3,11-dicarboxamide
CID 97522350
14-methyl-3-(2-methylpropyl)-15-oxo-N-propan-2-yl-3,11,14-triazadispiro[5.1.58.26]pentadecane-11-carboxamide
CID 155899842
11-acetyl-N,N,14-trimethyl-15-oxo-3,11,14-triazadispiro[5.1.58.26]pentadecane-3-carboxamide
CID 155900523
14-ethyl-N,N-dimethyl-15-oxo-3,11,14-triazadispiro[5.1.58.26]pentadecane-3-carboxamide
CID 155901039
4,4,6-Trimethyl-6-pyrrolidin-1-yl-1-[2-(3,3,5-trimethylhexanoyl)-2,8-diazaspiro[5.5]undecan-8-yl]heptan-1-one
CID 139355440
4,4,6-Trimethyl-1-[2-(3-methylbutanoyl)-2,8-diazaspiro[5.5]undecan-8-yl]-6-pyrrolidin-1-ylheptan-1-one
CID 153329441
5,5-Dimethyl-1-[2-[4-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]piperidin-1-yl]propan-2-yl]pyrrolidin-2-one
CID 156186052
8-(2,2-Dimethylpropanoyl)-3-ethyl-2-methyl-3-piperazin-1-yl-2,8-diazaspiro[4.5]decan-1-one
CID 156368094
N,N-dimethyl-4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide
CID 42693438

Frequently Asked Questions

What is the IUPAC name of 14-ethyl-N,N-dimethyl-11-(3-methylbutanoyl)-15-oxo-3,11,14-triazadispiro[5.1.58.26]pentadecane-3-carboxamide?
The IUPAC name of 14-ethyl-N,N-dimethyl-11-(3-methylbutanoyl)-15-oxo-3,11,14-triazadispiro[5.1.58.26]pentadecane-3-carboxamide (CID 97439280) is 14-ethyl-N,N-dimethyl-11-(3-methylbutanoyl)-15-oxo-3,11,14-triazadispiro[5.1.58.26]pentadecane-3-carboxamide.
What is the SMILES notation for 14-ethyl-N,N-dimethyl-11-(3-methylbutanoyl)-15-oxo-3,11,14-triazadispiro[5.1.58.26]pentadecane-3-carboxamide?
The canonical SMILES for 14-ethyl-N,N-dimethyl-11-(3-methylbutanoyl)-15-oxo-3,11,14-triazadispiro[5.1.58.26]pentadecane-3-carboxamide is CCN1C(=O)C2(CCN(C(=O)N(C)C)CC2)CC12CCN(C(=O)CC(C)C)CC2.
What is the InChIKey of 14-ethyl-N,N-dimethyl-11-(3-methylbutanoyl)-15-oxo-3,11,14-triazadispiro[5.1.58.26]pentadecane-3-carboxamide?
The InChIKey is WXKFKHAPSYZWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N4O3/c1-6-26-19(28)21(7-11-25(12-8-21)20(29)23(4)5)16-22(26)9-13-24(14-10-22)18(27)15-17(2)3/h17H,6-16H2,1-5H3.
What are the key properties of 14-ethyl-N,N-dimethyl-11-(3-methylbutanoyl)-15-oxo-3,11,14-triazadispiro[5.1.58.26]pentadecane-3-carboxamide?
14-ethyl-N,N-dimethyl-11-(3-methylbutanoyl)-15-oxo-3,11,14-triazadispiro[5.1.58.26]pentadecane-3-carboxamide has a molecular weight of 406.57 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-ethyl-N,N-dimethyl-11-(3-methylbutanoyl)-15-oxo-3,11,14-triazadispiro[5.1.58.26]pentadecane-3-carboxamide is sourced from PubChem (CID 97439280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).