7-benzoyl-N,N,2-trimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide

C19H26N4O3 — CID 134070067

IUPAC7-benzoyl-N,N,2-trimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
SMILESCN(C)C(=O)N1CCN(C(=O)c2ccccc2)CC2(CC(=O)N(C)C2)C1
InChIInChI=1S/C19H26N4O3/c1-20(2)18(26)23-10-9-22(17(25)15-7-5-4-6-8-15)13-19(14-23)11-16(24)21(3)12-19/h4-8H,9-14H2,1-3H3
InChIKeyZGMHIWLLSZKWOF-UHFFFAOYSA-N
MW358.44 g/mol
LogP0.97
Rot. Bonds1

About 7-benzoyl-N,N,2-trimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide

7-benzoyl-N,N,2-trimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide (PubChem CID 134070067) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 7-benzoyl-N,N,2-trimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide.

Molecular Properties

Compound Name7-benzoyl-N,N,2-trimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
PubChem CID134070067
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name7-benzoyl-N,N,2-trimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
SMILESCN(C)C(=O)N1CCN(C(=O)c2ccccc2)CC2(CC(=O)N(C)C2)C1
InChIInChI=1S/C19H26N4O3/c1-20(2)18(26)23-10-9-22(17(25)15-7-5-4-6-8-15)13-19(14-23)11-16(24)21(3)12-19/h4-8H,9-14H2,1-3H3
InChIKeyZGMHIWLLSZKWOF-UHFFFAOYSA-N
XLogP0.97
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-benzoyl-N,N,2-trimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide with MolForge

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Related Compounds

(5R)-10-(benzenesulfonyl)-N,N,2-trimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
CID 97438996
(5S)-10-(4-chlorobenzoyl)-2-ethyl-N,N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
CID 97360282
4-benzoyl-N,N-dimethylpiperazine-1-carboxamide
CID 1121209
2-methyl-3-oxo-N-phenyl-7-(pyridine-4-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 134070068
2-methyl-10-(2-methylpropanoyl)-7-(pyridine-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 131650256
2-methyl-10-(2-methylpropanoyl)-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 131639415
(5R)-7-(3-methoxybenzoyl)-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97439009
(5S)-7-acetyl-2-methyl-3-oxo-N-phenyl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97438969
(5R)-2-methyl-3-oxo-N-propan-2-yl-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97360137
(5S)-7-(3-chlorobenzoyl)-N,N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97438915
(5S)-2-methyl-7-(3-methylbutanoyl)-3-oxo-N-phenyl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 98634691
10-acetyl-2-ethyl-7-(1H-pyrrole-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 131696238

Frequently Asked Questions

What is the IUPAC name of 7-benzoyl-N,N,2-trimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The IUPAC name of 7-benzoyl-N,N,2-trimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide (CID 134070067) is 7-benzoyl-N,N,2-trimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide.
What is the SMILES notation for 7-benzoyl-N,N,2-trimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The canonical SMILES for 7-benzoyl-N,N,2-trimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide is CN(C)C(=O)N1CCN(C(=O)c2ccccc2)CC2(CC(=O)N(C)C2)C1.
What is the InChIKey of 7-benzoyl-N,N,2-trimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The InChIKey is ZGMHIWLLSZKWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-20(2)18(26)23-10-9-22(17(25)15-7-5-4-6-8-15)13-19(14-23)11-16(24)21(3)12-19/h4-8H,9-14H2,1-3H3.
What are the key properties of 7-benzoyl-N,N,2-trimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
7-benzoyl-N,N,2-trimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzoyl-N,N,2-trimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide is sourced from PubChem (CID 134070067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).