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

C17H30N4O2 — CID 155901039

IUPAC14-ethyl-N,N-dimethyl-15-oxo-3,11,14-triazadispiro[5.1.58.26]pentadecane-3-carboxamide
SMILESCCN1C(=O)C2(CCN(C(=O)N(C)C)CC2)CC12CCNCC2
InChIInChI=1S/C17H30N4O2/c1-4-21-14(22)16(13-17(21)5-9-18-10-6-17)7-11-20(12-8-16)15(23)19(2)3/h18H,4-13H2,1-3H3
InChIKeyHUWMSRYCQGYZCO-UHFFFAOYSA-N
MW322.45 g/mol
LogP1.12
Rot. Bonds1

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

14-ethyl-N,N-dimethyl-15-oxo-3,11,14-triazadispiro[5.1.58.26]pentadecane-3-carboxamide (PubChem CID 155901039) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 14-ethyl-N,N-dimethyl-15-oxo-3,11,14-triazadispiro[5.1.58.26]pentadecane-3-carboxamide.

Molecular Properties

Compound Name14-ethyl-N,N-dimethyl-15-oxo-3,11,14-triazadispiro[5.1.58.26]pentadecane-3-carboxamide
PubChem CID155901039
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name14-ethyl-N,N-dimethyl-15-oxo-3,11,14-triazadispiro[5.1.58.26]pentadecane-3-carboxamide
SMILESCCN1C(=O)C2(CCN(C(=O)N(C)C)CC2)CC12CCNCC2
InChIInChI=1S/C17H30N4O2/c1-4-21-14(22)16(13-17(21)5-9-18-10-6-17)7-11-20(12-8-16)15(23)19(2)3/h18H,4-13H2,1-3H3
InChIKeyHUWMSRYCQGYZCO-UHFFFAOYSA-N
XLogP1.12
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 14-ethyl-N,N-dimethyl-15-oxo-3,11,14-triazadispiro[5.1.58.26]pentadecane-3-carboxamide?
The IUPAC name of 14-ethyl-N,N-dimethyl-15-oxo-3,11,14-triazadispiro[5.1.58.26]pentadecane-3-carboxamide (CID 155901039) is 14-ethyl-N,N-dimethyl-15-oxo-3,11,14-triazadispiro[5.1.58.26]pentadecane-3-carboxamide.
What is the SMILES notation for 14-ethyl-N,N-dimethyl-15-oxo-3,11,14-triazadispiro[5.1.58.26]pentadecane-3-carboxamide?
The canonical SMILES for 14-ethyl-N,N-dimethyl-15-oxo-3,11,14-triazadispiro[5.1.58.26]pentadecane-3-carboxamide is CCN1C(=O)C2(CCN(C(=O)N(C)C)CC2)CC12CCNCC2.
What is the InChIKey of 14-ethyl-N,N-dimethyl-15-oxo-3,11,14-triazadispiro[5.1.58.26]pentadecane-3-carboxamide?
The InChIKey is HUWMSRYCQGYZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-4-21-14(22)16(13-17(21)5-9-18-10-6-17)7-11-20(12-8-16)15(23)19(2)3/h18H,4-13H2,1-3H3.
What are the key properties of 14-ethyl-N,N-dimethyl-15-oxo-3,11,14-triazadispiro[5.1.58.26]pentadecane-3-carboxamide?
14-ethyl-N,N-dimethyl-15-oxo-3,11,14-triazadispiro[5.1.58.26]pentadecane-3-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-ethyl-N,N-dimethyl-15-oxo-3,11,14-triazadispiro[5.1.58.26]pentadecane-3-carboxamide is sourced from PubChem (CID 155901039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).