(5S)-13-acetyl-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide

C18H30N4O3 — CID 97360547

IUPAC(5S)-13-acetyl-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide
SMILESCCN1CC[C@]2(CN(C(C)=O)CC23CCN(C(=O)N(C)C)CC3)C1=O
InChIInChI=1S/C18H30N4O3/c1-5-20-11-8-18(15(20)24)13-22(14(2)23)12-17(18)6-9-21(10-7-17)16(25)19(3)4/h5-13H2,1-4H3/t18-/m0/s1
InChIKeyZOTBDYHWQJZDSP-SFHVURJKSA-N
MW350.46 g/mol
LogP0.85
Rot. Bonds1

About (5S)-13-acetyl-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide

(5S)-13-acetyl-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide (PubChem CID 97360547) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is (5S)-13-acetyl-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide.

Molecular Properties

Compound Name(5S)-13-acetyl-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide
PubChem CID97360547
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Name(5S)-13-acetyl-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide
SMILESCCN1CC[C@]2(CN(C(C)=O)CC23CCN(C(=O)N(C)C)CC3)C1=O
InChIInChI=1S/C18H30N4O3/c1-5-20-11-8-18(15(20)24)13-22(14(2)23)12-17(18)6-9-21(10-7-17)16(25)19(3)4/h5-13H2,1-4H3/t18-/m0/s1
InChIKeyZOTBDYHWQJZDSP-SFHVURJKSA-N
XLogP0.85
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-13-acetyl-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide?
The IUPAC name of (5S)-13-acetyl-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide (CID 97360547) is (5S)-13-acetyl-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide.
What is the SMILES notation for (5S)-13-acetyl-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide?
The canonical SMILES for (5S)-13-acetyl-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide is CCN1CC[C@]2(CN(C(C)=O)CC23CCN(C(=O)N(C)C)CC3)C1=O.
What is the InChIKey of (5S)-13-acetyl-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide?
The InChIKey is ZOTBDYHWQJZDSP-SFHVURJKSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-5-20-11-8-18(15(20)24)13-22(14(2)23)12-17(18)6-9-21(10-7-17)16(25)19(3)4/h5-13H2,1-4H3/t18-/m0/s1.
What are the key properties of (5S)-13-acetyl-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide?
(5S)-13-acetyl-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-13-acetyl-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide is sourced from PubChem (CID 97360547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).