1-[2-(4-methylcyclohexyl)ethyl]-3-propyl-1,4-diazepane-2,5-dione

C17H30N2O2 — CID 64972287

IUPAC1-[2-(4-methylcyclohexyl)ethyl]-3-propyl-1,4-diazepane-2,5-dione
SMILESCCCC1NC(=O)CCN(CCC2CCC(C)CC2)C1=O
InChIInChI=1S/C17H30N2O2/c1-3-4-15-17(21)19(12-10-16(20)18-15)11-9-14-7-5-13(2)6-8-14/h13-15H,3-12H2,1-2H3,(H,18,20)
InChIKeyZHVBPHZZEOHWER-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.72
Rot. Bonds5

About 1-[2-(4-methylcyclohexyl)ethyl]-3-propyl-1,4-diazepane-2,5-dione

1-[2-(4-methylcyclohexyl)ethyl]-3-propyl-1,4-diazepane-2,5-dione (PubChem CID 64972287) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-[2-(4-methylcyclohexyl)ethyl]-3-propyl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name1-[2-(4-methylcyclohexyl)ethyl]-3-propyl-1,4-diazepane-2,5-dione
PubChem CID64972287
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-[2-(4-methylcyclohexyl)ethyl]-3-propyl-1,4-diazepane-2,5-dione
SMILESCCCC1NC(=O)CCN(CCC2CCC(C)CC2)C1=O
InChIInChI=1S/C17H30N2O2/c1-3-4-15-17(21)19(12-10-16(20)18-15)11-9-14-7-5-13(2)6-8-14/h13-15H,3-12H2,1-2H3,(H,18,20)
InChIKeyZHVBPHZZEOHWER-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-propyl-1-(2,2,2-trifluoroethyl)-1,4-diazepane-2,5-dione
CID 64881850
1-[2-(4-methylcyclohexyl)ethyl]piperidine-2,4-dione
CID 79517754
1-[(2-ethylphenyl)methyl]-3-propyl-1,4-diazepane-2,5-dione
CID 64973008
1-(2-methyl-3-methylsulfanylpropyl)-3-propyl-1,4-diazepane-2,5-dione
CID 64972018
1-(3-methoxy-2-methylpropyl)-3-propyl-1,4-diazepane-2,5-dione
CID 64968632
3-propyl-1-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-2,5-dione
CID 64965898
3-ethyl-1-[(4-ethylcyclohexyl)methyl]-1,4-diazepane-2,5-dione
CID 64968269
1-[2-(3-fluorophenyl)ethyl]-3-propyl-1,4-diazepane-2,5-dione
CID 64961025
1-(1-azabicyclo[2.2.2]octan-3-yl)-3-propyl-1,4-diazepane-2,5-dione
CID 64958116
1-(2,3-dimethylcyclohexyl)-3-propyl-1,4-diazepane-2,5-dione
CID 64959174
1-(1-methoxypropan-2-yl)-3-propyl-1,4-diazepane-2,5-dione
CID 64956632
1-[(3-bromo-5-fluorophenyl)methyl]-3-propyl-1,4-diazepane-2,5-dione
CID 79697961

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylcyclohexyl)ethyl]-3-propyl-1,4-diazepane-2,5-dione?
The IUPAC name of 1-[2-(4-methylcyclohexyl)ethyl]-3-propyl-1,4-diazepane-2,5-dione (CID 64972287) is 1-[2-(4-methylcyclohexyl)ethyl]-3-propyl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 1-[2-(4-methylcyclohexyl)ethyl]-3-propyl-1,4-diazepane-2,5-dione?
The canonical SMILES for 1-[2-(4-methylcyclohexyl)ethyl]-3-propyl-1,4-diazepane-2,5-dione is CCCC1NC(=O)CCN(CCC2CCC(C)CC2)C1=O.
What is the InChIKey of 1-[2-(4-methylcyclohexyl)ethyl]-3-propyl-1,4-diazepane-2,5-dione?
The InChIKey is ZHVBPHZZEOHWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-3-4-15-17(21)19(12-10-16(20)18-15)11-9-14-7-5-13(2)6-8-14/h13-15H,3-12H2,1-2H3,(H,18,20).
What are the key properties of 1-[2-(4-methylcyclohexyl)ethyl]-3-propyl-1,4-diazepane-2,5-dione?
1-[2-(4-methylcyclohexyl)ethyl]-3-propyl-1,4-diazepane-2,5-dione has a molecular weight of 294.44 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylcyclohexyl)ethyl]-3-propyl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64972287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).