5-butyl-5-ethyl-1,3-diazepan-2-one

C11H22N2O — CID 91004205

IUPAC5-butyl-5-ethyl-1,3-diazepan-2-one
SMILESCCCCC1(CC)CCNC(=O)NC1
InChIInChI=1S/C11H22N2O/c1-3-5-6-11(4-2)7-8-12-10(14)13-9-11/h3-9H2,1-2H3,(H2,12,13,14)
InChIKeyZETJKMFUYCCTQF-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.28
Rot. Bonds4

About 5-butyl-5-ethyl-1,3-diazepan-2-one

5-butyl-5-ethyl-1,3-diazepan-2-one (PubChem CID 91004205) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 5-butyl-5-ethyl-1,3-diazepan-2-one.

Molecular Properties

Compound Name5-butyl-5-ethyl-1,3-diazepan-2-one
PubChem CID91004205
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name5-butyl-5-ethyl-1,3-diazepan-2-one
SMILESCCCCC1(CC)CCNC(=O)NC1
InChIInChI=1S/C11H22N2O/c1-3-5-6-11(4-2)7-8-12-10(14)13-9-11/h3-9H2,1-2H3,(H2,12,13,14)
InChIKeyZETJKMFUYCCTQF-UHFFFAOYSA-N
XLogP2.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(2-Ethylhexyl)-3-propylurea
CID 19169942
N-(2-cyclopentylethyl)azepane-1-carboxamide
CID 19433296
N-(3-cyclobutylpropyl)azepane-1-carboxamide
CID 19433324
5,6-Diethyl-1,3-diazepan-2-one
CID 20496502
1-(4,4-Dimethylpentyl)-3-methylurea
CID 20608653
1-(5,5-Dimethylhexyl)-3-methylurea
CID 20608655
3-Ethyl-3,8,10-triazaspiro[5.6]dodecan-9-one
CID 20622598
1,1-Dimethyl-3-(3,3,4,4-tetramethylpentyl)urea
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Frequently Asked Questions

What is the IUPAC name of 5-butyl-5-ethyl-1,3-diazepan-2-one?
The IUPAC name of 5-butyl-5-ethyl-1,3-diazepan-2-one (CID 91004205) is 5-butyl-5-ethyl-1,3-diazepan-2-one.
What is the SMILES notation for 5-butyl-5-ethyl-1,3-diazepan-2-one?
The canonical SMILES for 5-butyl-5-ethyl-1,3-diazepan-2-one is CCCCC1(CC)CCNC(=O)NC1.
What is the InChIKey of 5-butyl-5-ethyl-1,3-diazepan-2-one?
The InChIKey is ZETJKMFUYCCTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-5-6-11(4-2)7-8-12-10(14)13-9-11/h3-9H2,1-2H3,(H2,12,13,14).
What are the key properties of 5-butyl-5-ethyl-1,3-diazepan-2-one?
5-butyl-5-ethyl-1,3-diazepan-2-one has a molecular weight of 198.31 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-5-ethyl-1,3-diazepan-2-one is sourced from PubChem (CID 91004205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).