3-ethyl-1-(2-phenylpropyl)-1,4-diazepane-2,5-dione

C16H22N2O2 — CID 104592419

IUPAC3-ethyl-1-(2-phenylpropyl)-1,4-diazepane-2,5-dione
SMILESCCC1NC(=O)CCN(CC(C)c2ccccc2)C1=O
InChIInChI=1S/C16H22N2O2/c1-3-14-16(20)18(10-9-15(19)17-14)11-12(2)13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3,(H,17,19)
InChIKeyAVJWHZBDUAKRPN-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.92
Rot. Bonds4

About 3-ethyl-1-(2-phenylpropyl)-1,4-diazepane-2,5-dione

3-ethyl-1-(2-phenylpropyl)-1,4-diazepane-2,5-dione (PubChem CID 104592419) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-ethyl-1-(2-phenylpropyl)-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-(2-phenylpropyl)-1,4-diazepane-2,5-dione
PubChem CID104592419
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-ethyl-1-(2-phenylpropyl)-1,4-diazepane-2,5-dione
SMILESCCC1NC(=O)CCN(CC(C)c2ccccc2)C1=O
InChIInChI=1S/C16H22N2O2/c1-3-14-16(20)18(10-9-15(19)17-14)11-12(2)13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3,(H,17,19)
InChIKeyAVJWHZBDUAKRPN-UHFFFAOYSA-N
XLogP1.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-phenylpropyl)-3-propylpiperazine-2,5-dione
CID 104592447
3-amino-1-(2-phenylpropyl)pyrrolidin-2-one
CID 104591592
3-ethyl-1-(furan-2-ylmethyl)-1,4-diazepane-2,5-dione
CID 64957599
3-(methylamino)-1-(2-phenylpropyl)pyrrolidin-2-one
CID 104591599
3-(ethylamino)-1-(2-phenylpropyl)pyrrolidin-2-one
CID 104591603
(3R)-1-benzyl-3-(2-methylpropyl)-1,4-diazepane-2,5-dione
CID 102440944
3-ethyl-1-(3-propan-2-ylphenyl)-1,4-diazepane-2,5-dione
CID 64959856
3-ethyl-1-(2-propan-2-ylsulfonylethyl)-1,4-diazepane-2,5-dione
CID 106733796
1-(2-phenylpropyl)piperidine-2,4-dione
CID 104591585
3-ethyl-1-[(4-ethylcyclohexyl)methyl]-1,4-diazepane-2,5-dione
CID 64968269
3-ethyl-1-methyl-1,4-diazepane-2,5-dione
CID 64881885
1-[(2-ethylphenyl)methyl]-3-propyl-1,4-diazepane-2,5-dione
CID 64973008

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-phenylpropyl)-1,4-diazepane-2,5-dione?
The IUPAC name of 3-ethyl-1-(2-phenylpropyl)-1,4-diazepane-2,5-dione (CID 104592419) is 3-ethyl-1-(2-phenylpropyl)-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-ethyl-1-(2-phenylpropyl)-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-ethyl-1-(2-phenylpropyl)-1,4-diazepane-2,5-dione is CCC1NC(=O)CCN(CC(C)c2ccccc2)C1=O.
What is the InChIKey of 3-ethyl-1-(2-phenylpropyl)-1,4-diazepane-2,5-dione?
The InChIKey is AVJWHZBDUAKRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-14-16(20)18(10-9-15(19)17-14)11-12(2)13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3,(H,17,19).
What are the key properties of 3-ethyl-1-(2-phenylpropyl)-1,4-diazepane-2,5-dione?
3-ethyl-1-(2-phenylpropyl)-1,4-diazepane-2,5-dione has a molecular weight of 274.36 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-phenylpropyl)-1,4-diazepane-2,5-dione is sourced from PubChem (CID 104592419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).