4-benzyl-2,2,7,7-tetramethyl-1,4-diazepan-5-one

C16H24N2O — CID 57087301

IUPAC4-benzyl-2,2,7,7-tetramethyl-1,4-diazepan-5-one
SMILESCC1(C)CC(=O)N(Cc2ccccc2)CC(C)(C)N1
InChIInChI=1S/C16H24N2O/c1-15(2)10-14(19)18(12-16(3,4)17-15)11-13-8-6-5-7-9-13/h5-9,17H,10-12H2,1-4H3
InChIKeyAIPGNNDDXMLDGN-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.57
Rot. Bonds2

About 4-benzyl-2,2,7,7-tetramethyl-1,4-diazepan-5-one

4-benzyl-2,2,7,7-tetramethyl-1,4-diazepan-5-one (PubChem CID 57087301) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-benzyl-2,2,7,7-tetramethyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name4-benzyl-2,2,7,7-tetramethyl-1,4-diazepan-5-one
PubChem CID57087301
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name4-benzyl-2,2,7,7-tetramethyl-1,4-diazepan-5-one
SMILESCC1(C)CC(=O)N(Cc2ccccc2)CC(C)(C)N1
InChIInChI=1S/C16H24N2O/c1-15(2)10-14(19)18(12-16(3,4)17-15)11-13-8-6-5-7-9-13/h5-9,17H,10-12H2,1-4H3
InChIKeyAIPGNNDDXMLDGN-UHFFFAOYSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-benzyl-2,2,7,7-tetramethyl-1,4-diazepan-5-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2,2,7,7-tetramethyl-1,4-diazepan-5-one?
The IUPAC name of 4-benzyl-2,2,7,7-tetramethyl-1,4-diazepan-5-one (CID 57087301) is 4-benzyl-2,2,7,7-tetramethyl-1,4-diazepan-5-one.
What is the SMILES notation for 4-benzyl-2,2,7,7-tetramethyl-1,4-diazepan-5-one?
The canonical SMILES for 4-benzyl-2,2,7,7-tetramethyl-1,4-diazepan-5-one is CC1(C)CC(=O)N(Cc2ccccc2)CC(C)(C)N1.
What is the InChIKey of 4-benzyl-2,2,7,7-tetramethyl-1,4-diazepan-5-one?
The InChIKey is AIPGNNDDXMLDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-15(2)10-14(19)18(12-16(3,4)17-15)11-13-8-6-5-7-9-13/h5-9,17H,10-12H2,1-4H3.
What are the key properties of 4-benzyl-2,2,7,7-tetramethyl-1,4-diazepan-5-one?
4-benzyl-2,2,7,7-tetramethyl-1,4-diazepan-5-one has a molecular weight of 260.38 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2,2,7,7-tetramethyl-1,4-diazepan-5-one is sourced from PubChem (CID 57087301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).