4-butyl-2,7-diethyl-2,3,7-trimethyl-1,4-diazepan-5-one

C16H32N2O — CID 71392971

IUPAC4-butyl-2,7-diethyl-2,3,7-trimethyl-1,4-diazepan-5-one
SMILESCCCCN1C(=O)CC(C)(CC)NC(C)(CC)C1C
InChIInChI=1S/C16H32N2O/c1-7-10-11-18-13(4)16(6,9-3)17-15(5,8-2)12-14(18)19/h13,17H,7-12H2,1-6H3
InChIKeyMHQACAZBDZAMLP-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.33
Rot. Bonds5

About 4-butyl-2,7-diethyl-2,3,7-trimethyl-1,4-diazepan-5-one

4-butyl-2,7-diethyl-2,3,7-trimethyl-1,4-diazepan-5-one (PubChem CID 71392971) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 4-butyl-2,7-diethyl-2,3,7-trimethyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name4-butyl-2,7-diethyl-2,3,7-trimethyl-1,4-diazepan-5-one
PubChem CID71392971
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name4-butyl-2,7-diethyl-2,3,7-trimethyl-1,4-diazepan-5-one
SMILESCCCCN1C(=O)CC(C)(CC)NC(C)(CC)C1C
InChIInChI=1S/C16H32N2O/c1-7-10-11-18-13(4)16(6,9-3)17-15(5,8-2)12-14(18)19/h13,17H,7-12H2,1-6H3
InChIKeyMHQACAZBDZAMLP-UHFFFAOYSA-N
XLogP3.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

2-[[(2S)-4-(azepan-1-yl)-4-oxobutan-2-yl]amino]-N-tert-butylacetamide
CID 97602186
3,3-Diethyl-1-(2-fluoroethyl)-7-methyl-1,4-diazepane-2,5-dione
CID 80697036
3,3-Diethyl-1-(3-fluoropropyl)-7-methyl-1,4-diazepane-2,5-dione
CID 81110999
2,7-Diethyl-1-hydroxy-2,3,7-trimethyl-1,4-diazepan-5-one
CID 18760513
1-Dodecyl-4,4-dimethyl-3,5,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepin-2-one
CID 20334755
4,4-Dimethyl-5-propyl-1,3,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepin-2-one
CID 20334761
5-Dodecyl-4,4-dimethyl-1,3,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepin-2-one
CID 20334768
5-Butyl-4,4-dimethyl-1,3,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepin-2-one
CID 20334769
1-Butyl-4,4-dimethyl-3,5,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepin-2-one
CID 20334773
5-Ethyl-4,4-dimethyl-1,3,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepin-2-one
CID 20334774
3,3,7,7-Tetramethyl-4-octyl-1,4-diazepan-5-one
CID 20334775
2,2,7,7-Tetra(propan-2-yl)-1,4-diazepan-5-one
CID 21525152

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2,7-diethyl-2,3,7-trimethyl-1,4-diazepan-5-one?
The IUPAC name of 4-butyl-2,7-diethyl-2,3,7-trimethyl-1,4-diazepan-5-one (CID 71392971) is 4-butyl-2,7-diethyl-2,3,7-trimethyl-1,4-diazepan-5-one.
What is the SMILES notation for 4-butyl-2,7-diethyl-2,3,7-trimethyl-1,4-diazepan-5-one?
The canonical SMILES for 4-butyl-2,7-diethyl-2,3,7-trimethyl-1,4-diazepan-5-one is CCCCN1C(=O)CC(C)(CC)NC(C)(CC)C1C.
What is the InChIKey of 4-butyl-2,7-diethyl-2,3,7-trimethyl-1,4-diazepan-5-one?
The InChIKey is MHQACAZBDZAMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-7-10-11-18-13(4)16(6,9-3)17-15(5,8-2)12-14(18)19/h13,17H,7-12H2,1-6H3.
What are the key properties of 4-butyl-2,7-diethyl-2,3,7-trimethyl-1,4-diazepan-5-one?
4-butyl-2,7-diethyl-2,3,7-trimethyl-1,4-diazepan-5-one has a molecular weight of 268.44 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2,7-diethyl-2,3,7-trimethyl-1,4-diazepan-5-one is sourced from PubChem (CID 71392971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).