1-(3-methoxycyclohexyl)-3-propan-2-yl-1,4-diazepane-2,5-dione

C15H26N2O3 — CID 64882548

IUPAC1-(3-methoxycyclohexyl)-3-propan-2-yl-1,4-diazepane-2,5-dione
SMILESCOC1CCCC(N2CCC(=O)NC(C(C)C)C2=O)C1
InChIInChI=1S/C15H26N2O3/c1-10(2)14-15(19)17(8-7-13(18)16-14)11-5-4-6-12(9-11)20-3/h10-12,14H,4-9H2,1-3H3,(H,16,18)
InChIKeyXRMLPLJGNUTTPI-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.32
Rot. Bonds3

About 1-(3-methoxycyclohexyl)-3-propan-2-yl-1,4-diazepane-2,5-dione

1-(3-methoxycyclohexyl)-3-propan-2-yl-1,4-diazepane-2,5-dione (PubChem CID 64882548) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(3-methoxycyclohexyl)-3-propan-2-yl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name1-(3-methoxycyclohexyl)-3-propan-2-yl-1,4-diazepane-2,5-dione
PubChem CID64882548
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(3-methoxycyclohexyl)-3-propan-2-yl-1,4-diazepane-2,5-dione
SMILESCOC1CCCC(N2CCC(=O)NC(C(C)C)C2=O)C1
InChIInChI=1S/C15H26N2O3/c1-10(2)14-15(19)17(8-7-13(18)16-14)11-5-4-6-12(9-11)20-3/h10-12,14H,4-9H2,1-3H3,(H,16,18)
InChIKeyXRMLPLJGNUTTPI-UHFFFAOYSA-N
XLogP1.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxycyclohexyl)-3-propan-2-yl-1,4-diazepane-2,5-dione?
The IUPAC name of 1-(3-methoxycyclohexyl)-3-propan-2-yl-1,4-diazepane-2,5-dione (CID 64882548) is 1-(3-methoxycyclohexyl)-3-propan-2-yl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 1-(3-methoxycyclohexyl)-3-propan-2-yl-1,4-diazepane-2,5-dione?
The canonical SMILES for 1-(3-methoxycyclohexyl)-3-propan-2-yl-1,4-diazepane-2,5-dione is COC1CCCC(N2CCC(=O)NC(C(C)C)C2=O)C1.
What is the InChIKey of 1-(3-methoxycyclohexyl)-3-propan-2-yl-1,4-diazepane-2,5-dione?
The InChIKey is XRMLPLJGNUTTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-10(2)14-15(19)17(8-7-13(18)16-14)11-5-4-6-12(9-11)20-3/h10-12,14H,4-9H2,1-3H3,(H,16,18).
What are the key properties of 1-(3-methoxycyclohexyl)-3-propan-2-yl-1,4-diazepane-2,5-dione?
1-(3-methoxycyclohexyl)-3-propan-2-yl-1,4-diazepane-2,5-dione has a molecular weight of 282.38 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxycyclohexyl)-3-propan-2-yl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64882548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).