2-benzoyl-N,N-dimethyl-10-oxo-2,6,9-triazabicyclo[9.3.0]tetradecane-6-carboxamide

C21H30N4O3 — CID 156612211

IUPAC2-benzoyl-N,N-dimethyl-10-oxo-2,6,9-triazabicyclo[9.3.0]tetradecane-6-carboxamide
SMILESCN(C)C(=O)N1CCCN(C(=O)c2ccccc2)C2CCCC2C(=O)NCC1
InChIInChI=1S/C21H30N4O3/c1-23(2)21(28)24-13-7-14-25(20(27)16-8-4-3-5-9-16)18-11-6-10-17(18)19(26)22-12-15-24/h3-5,8-9,17-18H,6-7,10-15H2,1-2H3,(H,22,26)
InChIKeyCJNZDGINNLZFSK-UHFFFAOYSA-N
MW386.50 g/mol
LogP1.80
Rot. Bonds1

About 2-benzoyl-N,N-dimethyl-10-oxo-2,6,9-triazabicyclo[9.3.0]tetradecane-6-carboxamide

2-benzoyl-N,N-dimethyl-10-oxo-2,6,9-triazabicyclo[9.3.0]tetradecane-6-carboxamide (PubChem CID 156612211) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-benzoyl-N,N-dimethyl-10-oxo-2,6,9-triazabicyclo[9.3.0]tetradecane-6-carboxamide.

Molecular Properties

Compound Name2-benzoyl-N,N-dimethyl-10-oxo-2,6,9-triazabicyclo[9.3.0]tetradecane-6-carboxamide
PubChem CID156612211
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name2-benzoyl-N,N-dimethyl-10-oxo-2,6,9-triazabicyclo[9.3.0]tetradecane-6-carboxamide
SMILESCN(C)C(=O)N1CCCN(C(=O)c2ccccc2)C2CCCC2C(=O)NCC1
InChIInChI=1S/C21H30N4O3/c1-23(2)21(28)24-13-7-14-25(20(27)16-8-4-3-5-9-16)18-11-6-10-17(18)19(26)22-12-15-24/h3-5,8-9,17-18H,6-7,10-15H2,1-2H3,(H,22,26)
InChIKeyCJNZDGINNLZFSK-UHFFFAOYSA-N
XLogP1.80
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-benzoyl-N,N-dimethyl-10-oxo-2,6,9-triazabicyclo[9.3.0]tetradecane-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,11R)-2-benzoyl-6-(2-ethylbutanoyl)-2,6,9-triazabicyclo[9.3.0]tetradecan-10-one
CID 146048595
2-benzoyl-N-benzyl-10-oxo-2,6,9-triazabicyclo[9.3.0]tetradecane-6-carboxamide
CID 156612261
2-benzoyl-6-cyclopentyl-2,6,9-triazabicyclo[9.3.0]tetradecan-10-one
CID 156612221
(8aR,11aS)-1-(furan-3-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
CID 110201526
4-benzoyl-N,N-dimethylpiperazine-1-carboxamide
CID 1121209
1-(pyridine-4-carbonyl)-2,3,5,6,7,8a,9,10,11,11a-decahydrocyclopenta[e][1,4,8]oxadiazecin-8-one
CID 156612103
(1S,11R)-2-(6-methylpyridine-3-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199266
(4aS,8aR)-1-benzoyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
CID 754278
2-acetyl-6-[2-(3-methoxyphenyl)acetyl]-2,6,9-triazabicyclo[9.3.0]tetradecan-10-one
CID 156612148
1-(2-methoxyacetyl)-4-(2-phenoxyacetyl)-3,5,6,7,8a,9,10,11,12,12a-decahydro-2H-benzo[h][1,4,7]triazecin-8-one
CID 156612266
(8aR,11aS)-1-(quinoline-2-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
CID 110201542
(1S,11R)-2-(2-ethylpyrazole-3-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199288

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-N,N-dimethyl-10-oxo-2,6,9-triazabicyclo[9.3.0]tetradecane-6-carboxamide?
The IUPAC name of 2-benzoyl-N,N-dimethyl-10-oxo-2,6,9-triazabicyclo[9.3.0]tetradecane-6-carboxamide (CID 156612211) is 2-benzoyl-N,N-dimethyl-10-oxo-2,6,9-triazabicyclo[9.3.0]tetradecane-6-carboxamide.
What is the SMILES notation for 2-benzoyl-N,N-dimethyl-10-oxo-2,6,9-triazabicyclo[9.3.0]tetradecane-6-carboxamide?
The canonical SMILES for 2-benzoyl-N,N-dimethyl-10-oxo-2,6,9-triazabicyclo[9.3.0]tetradecane-6-carboxamide is CN(C)C(=O)N1CCCN(C(=O)c2ccccc2)C2CCCC2C(=O)NCC1.
What is the InChIKey of 2-benzoyl-N,N-dimethyl-10-oxo-2,6,9-triazabicyclo[9.3.0]tetradecane-6-carboxamide?
The InChIKey is CJNZDGINNLZFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-23(2)21(28)24-13-7-14-25(20(27)16-8-4-3-5-9-16)18-11-6-10-17(18)19(26)22-12-15-24/h3-5,8-9,17-18H,6-7,10-15H2,1-2H3,(H,22,26).
What are the key properties of 2-benzoyl-N,N-dimethyl-10-oxo-2,6,9-triazabicyclo[9.3.0]tetradecane-6-carboxamide?
2-benzoyl-N,N-dimethyl-10-oxo-2,6,9-triazabicyclo[9.3.0]tetradecane-6-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-N,N-dimethyl-10-oxo-2,6,9-triazabicyclo[9.3.0]tetradecane-6-carboxamide is sourced from PubChem (CID 156612211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).