(5R)-13-acetyl-N,N,3-trimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide

C17H28N4O3 — CID 97360441

IUPAC(5R)-13-acetyl-N,N,3-trimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide
SMILESCC(=O)N1CC2(CCN(C(=O)N(C)C)CC2)[C@]2(CCN(C)C2=O)C1
InChIInChI=1S/C17H28N4O3/c1-13(22)21-11-16(17(12-21)7-8-19(4)14(17)23)5-9-20(10-6-16)15(24)18(2)3/h5-12H2,1-4H3/t17-/m1/s1
InChIKeyCHTRTDBCVJEIEF-QGZVFWFLSA-N
MW336.44 g/mol
LogP0.46
Rot. Bonds

About (5R)-13-acetyl-N,N,3-trimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide

(5R)-13-acetyl-N,N,3-trimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide (PubChem CID 97360441) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is (5R)-13-acetyl-N,N,3-trimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide.

Molecular Properties

Compound Name(5R)-13-acetyl-N,N,3-trimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide
PubChem CID97360441
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name(5R)-13-acetyl-N,N,3-trimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide
SMILESCC(=O)N1CC2(CCN(C(=O)N(C)C)CC2)[C@]2(CCN(C)C2=O)C1
InChIInChI=1S/C17H28N4O3/c1-13(22)21-11-16(17(12-21)7-8-19(4)14(17)23)5-9-20(10-6-16)15(24)18(2)3/h5-12H2,1-4H3/t17-/m1/s1
InChIKeyCHTRTDBCVJEIEF-QGZVFWFLSA-N
XLogP0.46
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-13-acetyl-N,N,3-trimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide?
The IUPAC name of (5R)-13-acetyl-N,N,3-trimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide (CID 97360441) is (5R)-13-acetyl-N,N,3-trimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide.
What is the SMILES notation for (5R)-13-acetyl-N,N,3-trimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide?
The canonical SMILES for (5R)-13-acetyl-N,N,3-trimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide is CC(=O)N1CC2(CCN(C(=O)N(C)C)CC2)[C@]2(CCN(C)C2=O)C1.
What is the InChIKey of (5R)-13-acetyl-N,N,3-trimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide?
The InChIKey is CHTRTDBCVJEIEF-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-13(22)21-11-16(17(12-21)7-8-19(4)14(17)23)5-9-20(10-6-16)15(24)18(2)3/h5-12H2,1-4H3/t17-/m1/s1.
What are the key properties of (5R)-13-acetyl-N,N,3-trimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide?
(5R)-13-acetyl-N,N,3-trimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 0.46, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-13-acetyl-N,N,3-trimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide is sourced from PubChem (CID 97360441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).