14-methyl-3-(2-methylpropyl)-15-oxo-N-propan-2-yl-3,11,14-triazadispiro[5.1.58.26]pentadecane-11-carboxamide

C21H38N4O2 — CID 155899842

IUPAC14-methyl-3-(2-methylpropyl)-15-oxo-N-propan-2-yl-3,11,14-triazadispiro[5.1.58.26]pentadecane-11-carboxamide
SMILESCC(C)CN1CCC2(CC1)CC1(CCN(C(=O)NC(C)C)CC1)N(C)C2=O
InChIInChI=1S/C21H38N4O2/c1-16(2)14-24-10-6-20(7-11-24)15-21(23(5)18(20)26)8-12-25(13-9-21)19(27)22-17(3)4/h16-17H,6-15H2,1-5H3,(H,22,27)
InChIKeyPONFINQXEHBYHH-UHFFFAOYSA-N
MW378.56 g/mol
LogP2.54
Rot. Bonds3

About 14-methyl-3-(2-methylpropyl)-15-oxo-N-propan-2-yl-3,11,14-triazadispiro[5.1.58.26]pentadecane-11-carboxamide

14-methyl-3-(2-methylpropyl)-15-oxo-N-propan-2-yl-3,11,14-triazadispiro[5.1.58.26]pentadecane-11-carboxamide (PubChem CID 155899842) has the molecular formula C21H38N4O2 and a molecular weight of 378.56 g/mol. Its IUPAC name is 14-methyl-3-(2-methylpropyl)-15-oxo-N-propan-2-yl-3,11,14-triazadispiro[5.1.58.26]pentadecane-11-carboxamide.

Molecular Properties

Compound Name14-methyl-3-(2-methylpropyl)-15-oxo-N-propan-2-yl-3,11,14-triazadispiro[5.1.58.26]pentadecane-11-carboxamide
PubChem CID155899842
Molecular FormulaC21H38N4O2
Molecular Weight378.56 g/mol
Exact Mass378.30
IUPAC Name14-methyl-3-(2-methylpropyl)-15-oxo-N-propan-2-yl-3,11,14-triazadispiro[5.1.58.26]pentadecane-11-carboxamide
SMILESCC(C)CN1CCC2(CC1)CC1(CCN(C(=O)NC(C)C)CC1)N(C)C2=O
InChIInChI=1S/C21H38N4O2/c1-16(2)14-24-10-6-20(7-11-24)15-21(23(5)18(20)26)8-12-25(13-9-21)19(27)22-17(3)4/h16-17H,6-15H2,1-5H3,(H,22,27)
InChIKeyPONFINQXEHBYHH-UHFFFAOYSA-N
XLogP2.54
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 14-methyl-3-(2-methylpropyl)-15-oxo-N-propan-2-yl-3,11,14-triazadispiro[5.1.58.26]pentadecane-11-carboxamide?
The IUPAC name of 14-methyl-3-(2-methylpropyl)-15-oxo-N-propan-2-yl-3,11,14-triazadispiro[5.1.58.26]pentadecane-11-carboxamide (CID 155899842) is 14-methyl-3-(2-methylpropyl)-15-oxo-N-propan-2-yl-3,11,14-triazadispiro[5.1.58.26]pentadecane-11-carboxamide.
What is the SMILES notation for 14-methyl-3-(2-methylpropyl)-15-oxo-N-propan-2-yl-3,11,14-triazadispiro[5.1.58.26]pentadecane-11-carboxamide?
The canonical SMILES for 14-methyl-3-(2-methylpropyl)-15-oxo-N-propan-2-yl-3,11,14-triazadispiro[5.1.58.26]pentadecane-11-carboxamide is CC(C)CN1CCC2(CC1)CC1(CCN(C(=O)NC(C)C)CC1)N(C)C2=O.
What is the InChIKey of 14-methyl-3-(2-methylpropyl)-15-oxo-N-propan-2-yl-3,11,14-triazadispiro[5.1.58.26]pentadecane-11-carboxamide?
The InChIKey is PONFINQXEHBYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N4O2/c1-16(2)14-24-10-6-20(7-11-24)15-21(23(5)18(20)26)8-12-25(13-9-21)19(27)22-17(3)4/h16-17H,6-15H2,1-5H3,(H,22,27).
What are the key properties of 14-methyl-3-(2-methylpropyl)-15-oxo-N-propan-2-yl-3,11,14-triazadispiro[5.1.58.26]pentadecane-11-carboxamide?
14-methyl-3-(2-methylpropyl)-15-oxo-N-propan-2-yl-3,11,14-triazadispiro[5.1.58.26]pentadecane-11-carboxamide has a molecular weight of 378.56 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methyl-3-(2-methylpropyl)-15-oxo-N-propan-2-yl-3,11,14-triazadispiro[5.1.58.26]pentadecane-11-carboxamide is sourced from PubChem (CID 155899842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).