(6S)-8-acetyl-N,N-dimethyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide

C13H23N3O4 — CID 97373190

IUPAC(6S)-8-acetyl-N,N-dimethyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide
SMILESCC(=O)N1CCOC[C@]2(C1)CN(C(=O)N(C)C)CCO2
InChIInChI=1S/C13H23N3O4/c1-11(17)15-4-6-19-10-13(8-15)9-16(5-7-20-13)12(18)14(2)3/h4-10H2,1-3H3/t13-/m0/s1
InChIKeyQMCPYQNENYEUFL-ZDUSSCGKSA-N
MW285.34 g/mol
LogP-0.38
Rot. Bonds

About (6S)-8-acetyl-N,N-dimethyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide

(6S)-8-acetyl-N,N-dimethyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide (PubChem CID 97373190) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is (6S)-8-acetyl-N,N-dimethyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide.

Molecular Properties

Compound Name(6S)-8-acetyl-N,N-dimethyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide
PubChem CID97373190
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name(6S)-8-acetyl-N,N-dimethyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide
SMILESCC(=O)N1CCOC[C@]2(C1)CN(C(=O)N(C)C)CCO2
InChIInChI=1S/C13H23N3O4/c1-11(17)15-4-6-19-10-13(8-15)9-16(5-7-20-13)12(18)14(2)3/h4-10H2,1-3H3/t13-/m0/s1
InChIKeyQMCPYQNENYEUFL-ZDUSSCGKSA-N
XLogP-0.38
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-8-acetyl-N,N-dimethyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide?
The IUPAC name of (6S)-8-acetyl-N,N-dimethyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide (CID 97373190) is (6S)-8-acetyl-N,N-dimethyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide.
What is the SMILES notation for (6S)-8-acetyl-N,N-dimethyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide?
The canonical SMILES for (6S)-8-acetyl-N,N-dimethyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide is CC(=O)N1CCOC[C@]2(C1)CN(C(=O)N(C)C)CCO2.
What is the InChIKey of (6S)-8-acetyl-N,N-dimethyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide?
The InChIKey is QMCPYQNENYEUFL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-11(17)15-4-6-19-10-13(8-15)9-16(5-7-20-13)12(18)14(2)3/h4-10H2,1-3H3/t13-/m0/s1.
What are the key properties of (6S)-8-acetyl-N,N-dimethyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide?
(6S)-8-acetyl-N,N-dimethyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide has a molecular weight of 285.34 g/mol, XLogP of -0.38, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-8-acetyl-N,N-dimethyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide is sourced from PubChem (CID 97373190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).