1-benzyl-3-cyclohexyl-7-methyl-1,4-diazepane-2,5-dione

C19H26N2O2 — CID 64883443

IUPAC1-benzyl-3-cyclohexyl-7-methyl-1,4-diazepane-2,5-dione
SMILESCC1CC(=O)NC(C2CCCCC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C19H26N2O2/c1-14-12-17(22)20-18(16-10-6-3-7-11-16)19(23)21(14)13-15-8-4-2-5-9-15/h2,4-5,8-9,14,16,18H,3,6-7,10-13H2,1H3,(H,20,22)
InChIKeyRATXLXHBRZRUSS-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.87
Rot. Bonds3

About 1-benzyl-3-cyclohexyl-7-methyl-1,4-diazepane-2,5-dione

1-benzyl-3-cyclohexyl-7-methyl-1,4-diazepane-2,5-dione (PubChem CID 64883443) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-benzyl-3-cyclohexyl-7-methyl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-cyclohexyl-7-methyl-1,4-diazepane-2,5-dione
PubChem CID64883443
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name1-benzyl-3-cyclohexyl-7-methyl-1,4-diazepane-2,5-dione
SMILESCC1CC(=O)NC(C2CCCCC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C19H26N2O2/c1-14-12-17(22)20-18(16-10-6-3-7-11-16)19(23)21(14)13-15-8-4-2-5-9-15/h2,4-5,8-9,14,16,18H,3,6-7,10-13H2,1H3,(H,20,22)
InChIKeyRATXLXHBRZRUSS-UHFFFAOYSA-N
XLogP2.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-bromophenyl)methyl]-3-cyclopropyl-7-methyl-1,4-diazepane-2,5-dione
CID 64881712
3-cyclohexyl-1-(cyclopropylmethyl)-7-methyl-1,4-diazepane-2,5-dione
CID 64883637
3-cyclopropyl-7-methyl-1-(thiophen-2-ylmethyl)-1,4-diazepane-2,5-dione
CID 64883454
3-cyclopropyl-7-methyl-1-[(5-methyl-3-pyridinyl)methyl]-1,4-diazepane-2,5-dione
CID 102879830
3-benzyl-5-cyclobutylimidazolidine-2,4-dione
CID 130900496
3-cyclopropyl-7-methyl-1-propyl-1,4-diazepane-2,5-dione
CID 64882100
3-cyclohexyl-7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione
CID 64884024
3-cyclopropyl-7-methyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane-2,5-dione
CID 64884033
6-benzyl-8-cyclohexyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64885843
4-benzyl-2,5-dimethylmorpholin-3-one
CID 123662409
(3R,4S,6R)-1-benzyl-4-hydroxy-3,6-dimethylpiperidin-2-one
CID 156527480
1-benzyl-5-methyl-3-methylidenepyrrolidin-2-one
CID 19068314

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-cyclohexyl-7-methyl-1,4-diazepane-2,5-dione?
The IUPAC name of 1-benzyl-3-cyclohexyl-7-methyl-1,4-diazepane-2,5-dione (CID 64883443) is 1-benzyl-3-cyclohexyl-7-methyl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 1-benzyl-3-cyclohexyl-7-methyl-1,4-diazepane-2,5-dione?
The canonical SMILES for 1-benzyl-3-cyclohexyl-7-methyl-1,4-diazepane-2,5-dione is CC1CC(=O)NC(C2CCCCC2)C(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-cyclohexyl-7-methyl-1,4-diazepane-2,5-dione?
The InChIKey is RATXLXHBRZRUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-14-12-17(22)20-18(16-10-6-3-7-11-16)19(23)21(14)13-15-8-4-2-5-9-15/h2,4-5,8-9,14,16,18H,3,6-7,10-13H2,1H3,(H,20,22).
What are the key properties of 1-benzyl-3-cyclohexyl-7-methyl-1,4-diazepane-2,5-dione?
1-benzyl-3-cyclohexyl-7-methyl-1,4-diazepane-2,5-dione has a molecular weight of 314.43 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-cyclohexyl-7-methyl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64883443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).