1-butyl-3-ethyl-4-hydroxy-3,5,5,7-tetramethyl-1,4-diazepan-2-one

C15H30N2O2 — CID 18760550

IUPAC1-butyl-3-ethyl-4-hydroxy-3,5,5,7-tetramethyl-1,4-diazepan-2-one
SMILESCCCCN1C(=O)C(C)(CC)N(O)C(C)(C)CC1C
InChIInChI=1S/C15H30N2O2/c1-7-9-10-16-12(3)11-14(4,5)17(19)15(6,8-2)13(16)18/h12,19H,7-11H2,1-6H3
InChIKeyXJKFBZOWHZPCKR-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.05
Rot. Bonds4

About 1-butyl-3-ethyl-4-hydroxy-3,5,5,7-tetramethyl-1,4-diazepan-2-one

1-butyl-3-ethyl-4-hydroxy-3,5,5,7-tetramethyl-1,4-diazepan-2-one (PubChem CID 18760550) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-butyl-3-ethyl-4-hydroxy-3,5,5,7-tetramethyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name1-butyl-3-ethyl-4-hydroxy-3,5,5,7-tetramethyl-1,4-diazepan-2-one
PubChem CID18760550
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name1-butyl-3-ethyl-4-hydroxy-3,5,5,7-tetramethyl-1,4-diazepan-2-one
SMILESCCCCN1C(=O)C(C)(CC)N(O)C(C)(C)CC1C
InChIInChI=1S/C15H30N2O2/c1-7-9-10-16-12(3)11-14(4,5)17(19)15(6,8-2)13(16)18/h12,19H,7-11H2,1-6H3
InChIKeyXJKFBZOWHZPCKR-UHFFFAOYSA-N
XLogP3.05
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-butyl-3-ethyl-4-hydroxy-3,5,5,7-tetramethyl-1,4-diazepan-2-one 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

CID 18760564
CID 18760564
CID 18760569
CID 18760569
CID 20683173
CID 20683173
CID 59360345
CID 59360345
CID 59919907
CID 59919907
CID 59919920
CID 59919920
CID 59919926
CID 59919926
CID 59967311
CID 59967311
CID 71106000
CID 71106000
CID 5248304
CID 5248304
CID 57973767
CID 57973767

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-ethyl-4-hydroxy-3,5,5,7-tetramethyl-1,4-diazepan-2-one?
The IUPAC name of 1-butyl-3-ethyl-4-hydroxy-3,5,5,7-tetramethyl-1,4-diazepan-2-one (CID 18760550) is 1-butyl-3-ethyl-4-hydroxy-3,5,5,7-tetramethyl-1,4-diazepan-2-one.
What is the SMILES notation for 1-butyl-3-ethyl-4-hydroxy-3,5,5,7-tetramethyl-1,4-diazepan-2-one?
The canonical SMILES for 1-butyl-3-ethyl-4-hydroxy-3,5,5,7-tetramethyl-1,4-diazepan-2-one is CCCCN1C(=O)C(C)(CC)N(O)C(C)(C)CC1C.
What is the InChIKey of 1-butyl-3-ethyl-4-hydroxy-3,5,5,7-tetramethyl-1,4-diazepan-2-one?
The InChIKey is XJKFBZOWHZPCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-7-9-10-16-12(3)11-14(4,5)17(19)15(6,8-2)13(16)18/h12,19H,7-11H2,1-6H3.
What are the key properties of 1-butyl-3-ethyl-4-hydroxy-3,5,5,7-tetramethyl-1,4-diazepan-2-one?
1-butyl-3-ethyl-4-hydroxy-3,5,5,7-tetramethyl-1,4-diazepan-2-one has a molecular weight of 270.42 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-ethyl-4-hydroxy-3,5,5,7-tetramethyl-1,4-diazepan-2-one is sourced from PubChem (CID 18760550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).