4-benzyl-3-ethyl-1-(3-methylfuran-2-carbonyl)-1,4-diazepan-5-one

C20H24N2O3 — CID 56880035

IUPAC4-benzyl-3-ethyl-1-(3-methylfuran-2-carbonyl)-1,4-diazepan-5-one
SMILESCCC1CN(C(=O)c2occc2C)CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C20H24N2O3/c1-3-17-14-21(20(24)19-15(2)10-12-25-19)11-9-18(23)22(17)13-16-7-5-4-6-8-16/h4-8,10,12,17H,3,9,11,13-14H2,1-2H3
InChIKeyUUTRJJNGRNPWKZ-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.24
Rot. Bonds4

About 4-benzyl-3-ethyl-1-(3-methylfuran-2-carbonyl)-1,4-diazepan-5-one

4-benzyl-3-ethyl-1-(3-methylfuran-2-carbonyl)-1,4-diazepan-5-one (PubChem CID 56880035) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 4-benzyl-3-ethyl-1-(3-methylfuran-2-carbonyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name4-benzyl-3-ethyl-1-(3-methylfuran-2-carbonyl)-1,4-diazepan-5-one
PubChem CID56880035
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name4-benzyl-3-ethyl-1-(3-methylfuran-2-carbonyl)-1,4-diazepan-5-one
SMILESCCC1CN(C(=O)c2occc2C)CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C20H24N2O3/c1-3-17-14-21(20(24)19-15(2)10-12-25-19)11-9-18(23)22(17)13-16-7-5-4-6-8-16/h4-8,10,12,17H,3,9,11,13-14H2,1-2H3
InChIKeyUUTRJJNGRNPWKZ-UHFFFAOYSA-N
XLogP3.24
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-3-ethyl-1-(2-hydroxy-3-methylbenzoyl)-1,4-diazepan-5-one
CID 56879731
(3S)-4-benzyl-3-ethyl-1-(4-hydroxy-3-methylbenzoyl)-1,4-diazepan-5-one
CID 95545417
1-(2,1-benzoxazole-3-carbonyl)-4-benzyl-3-ethyl-1,4-diazepan-5-one
CID 56878010
4-benzyl-3-ethyl-1-(1H-pyrrole-2-carbonyl)-1,4-diazepan-5-one
CID 56874335
(3S)-4-benzyl-3-ethyl-1-(3-methyl-1,2-oxazole-5-carbonyl)-1,4-diazepan-5-one
CID 95435607
4-benzyl-3-ethyl-1-(5-ethyl-1,3-oxazole-4-carbonyl)-1,4-diazepan-5-one
CID 56878522
4-benzyl-3-ethyl-1-(3-fluoro-4-methylbenzoyl)-1,4-diazepan-5-one
CID 56863902
4-benzyl-1-[2-(dimethylamino)acetyl]-3-ethyl-1,4-diazepan-5-one
CID 56871600
(3S)-4-benzyl-1-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)-3-ethyl-1,4-diazepan-5-one
CID 95556002
(3R)-4-benzyl-N,3-diethyl-5-oxo-1,4-diazepane-1-carboxamide
CID 95557958
4-benzyl-N,3-diethyl-5-oxo-1,4-diazepane-1-carboxamide
CID 56878549
(3R)-4-benzyl-1-(2-chloropyridine-4-carbonyl)-3-ethyl-1,4-diazepan-5-one
CID 95550865

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-ethyl-1-(3-methylfuran-2-carbonyl)-1,4-diazepan-5-one?
The IUPAC name of 4-benzyl-3-ethyl-1-(3-methylfuran-2-carbonyl)-1,4-diazepan-5-one (CID 56880035) is 4-benzyl-3-ethyl-1-(3-methylfuran-2-carbonyl)-1,4-diazepan-5-one.
What is the SMILES notation for 4-benzyl-3-ethyl-1-(3-methylfuran-2-carbonyl)-1,4-diazepan-5-one?
The canonical SMILES for 4-benzyl-3-ethyl-1-(3-methylfuran-2-carbonyl)-1,4-diazepan-5-one is CCC1CN(C(=O)c2occc2C)CCC(=O)N1Cc1ccccc1.
What is the InChIKey of 4-benzyl-3-ethyl-1-(3-methylfuran-2-carbonyl)-1,4-diazepan-5-one?
The InChIKey is UUTRJJNGRNPWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-3-17-14-21(20(24)19-15(2)10-12-25-19)11-9-18(23)22(17)13-16-7-5-4-6-8-16/h4-8,10,12,17H,3,9,11,13-14H2,1-2H3.
What are the key properties of 4-benzyl-3-ethyl-1-(3-methylfuran-2-carbonyl)-1,4-diazepan-5-one?
4-benzyl-3-ethyl-1-(3-methylfuran-2-carbonyl)-1,4-diazepan-5-one has a molecular weight of 340.42 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-ethyl-1-(3-methylfuran-2-carbonyl)-1,4-diazepan-5-one is sourced from PubChem (CID 56880035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).