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

C26H32N4O3 — CID 156612261

IUPAC2-benzoyl-N-benzyl-10-oxo-2,6,9-triazabicyclo[9.3.0]tetradecane-6-carboxamide
SMILESO=C1NCCN(C(=O)NCc2ccccc2)CCCN(C(=O)c2ccccc2)C2CCCC12
InChIInChI=1S/C26H32N4O3/c31-24-22-13-7-14-23(22)30(25(32)21-11-5-2-6-12-21)17-8-16-29(18-15-27-24)26(33)28-19-20-9-3-1-4-10-20/h1-6,9-12,22-23H,7-8,13-19H2,(H,27,31)(H,28,33)
InChIKeySNWPSJSBYKVDCX-UHFFFAOYSA-N
MW448.57 g/mol
LogP3.03
Rot. Bonds3

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

2-benzoyl-N-benzyl-10-oxo-2,6,9-triazabicyclo[9.3.0]tetradecane-6-carboxamide (PubChem CID 156612261) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is 2-benzoyl-N-benzyl-10-oxo-2,6,9-triazabicyclo[9.3.0]tetradecane-6-carboxamide.

Molecular Properties

Compound Name2-benzoyl-N-benzyl-10-oxo-2,6,9-triazabicyclo[9.3.0]tetradecane-6-carboxamide
PubChem CID156612261
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Name2-benzoyl-N-benzyl-10-oxo-2,6,9-triazabicyclo[9.3.0]tetradecane-6-carboxamide
SMILESO=C1NCCN(C(=O)NCc2ccccc2)CCCN(C(=O)c2ccccc2)C2CCCC12
InChIInChI=1S/C26H32N4O3/c31-24-22-13-7-14-23(22)30(25(32)21-11-5-2-6-12-21)17-8-16-29(18-15-27-24)26(33)28-19-20-9-3-1-4-10-20/h1-6,9-12,22-23H,7-8,13-19H2,(H,27,31)(H,28,33)
InChIKeySNWPSJSBYKVDCX-UHFFFAOYSA-N
XLogP3.03
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

(1S,11R)-N-benzyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide
CID 110199324
2-benzoyl-N,N-dimethyl-10-oxo-2,6,9-triazabicyclo[9.3.0]tetradecane-6-carboxamide
CID 156612211
(1S,11R)-2-benzoyl-6-(2-ethylbutanoyl)-2,6,9-triazabicyclo[9.3.0]tetradecan-10-one
CID 146048595
2-benzoyl-6-cyclopentyl-2,6,9-triazabicyclo[9.3.0]tetradecan-10-one
CID 156612221
(8aR,11aS)-N-[(4-fluorophenyl)methyl]-8-oxo-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecine-1-carboxamide
CID 110201610
N-[(4-methylphenyl)methyl]-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide
CID 156611612
(1S,11R)-10-oxo-N-(2-phenylethyl)-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide
CID 110199330
(8aR,12aS)-8-oxo-N-(2-phenylethyl)-2,3,4,5,6,7,8a,9,10,11,12,12a-dodecahydrobenzo[b][1,5]diazecine-1-carboxamide
CID 110201311
(8aR,12aS)-N-[(4-methylphenyl)methyl]-8-oxo-2,3,4,5,6,7,8a,9,10,11,12,12a-dodecahydrobenzo[b][1,5]diazecine-1-carboxamide
CID 110201310
N-benzylazonane-1-carboxamide
CID 130689649
(3R)-N-benzyl-3-(2-oxoimidazolidin-1-yl)piperidine-1-carboxamide
CID 95047911
N-benzyl-4-(2-methylbenzoyl)-1,4-diazepane-1-carboxamide
CID 23881003

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-N-benzyl-10-oxo-2,6,9-triazabicyclo[9.3.0]tetradecane-6-carboxamide?
The IUPAC name of 2-benzoyl-N-benzyl-10-oxo-2,6,9-triazabicyclo[9.3.0]tetradecane-6-carboxamide (CID 156612261) is 2-benzoyl-N-benzyl-10-oxo-2,6,9-triazabicyclo[9.3.0]tetradecane-6-carboxamide.
What is the SMILES notation for 2-benzoyl-N-benzyl-10-oxo-2,6,9-triazabicyclo[9.3.0]tetradecane-6-carboxamide?
The canonical SMILES for 2-benzoyl-N-benzyl-10-oxo-2,6,9-triazabicyclo[9.3.0]tetradecane-6-carboxamide is O=C1NCCN(C(=O)NCc2ccccc2)CCCN(C(=O)c2ccccc2)C2CCCC12.
What is the InChIKey of 2-benzoyl-N-benzyl-10-oxo-2,6,9-triazabicyclo[9.3.0]tetradecane-6-carboxamide?
The InChIKey is SNWPSJSBYKVDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c31-24-22-13-7-14-23(22)30(25(32)21-11-5-2-6-12-21)17-8-16-29(18-15-27-24)26(33)28-19-20-9-3-1-4-10-20/h1-6,9-12,22-23H,7-8,13-19H2,(H,27,31)(H,28,33).
What are the key properties of 2-benzoyl-N-benzyl-10-oxo-2,6,9-triazabicyclo[9.3.0]tetradecane-6-carboxamide?
2-benzoyl-N-benzyl-10-oxo-2,6,9-triazabicyclo[9.3.0]tetradecane-6-carboxamide has a molecular weight of 448.57 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-N-benzyl-10-oxo-2,6,9-triazabicyclo[9.3.0]tetradecane-6-carboxamide is sourced from PubChem (CID 156612261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).