1-(cyclohexylmethyl)-4-(2-methoxyethyl)-1,4-diazepan-5-one

C15H28N2O2 — CID 26316520

IUPAC1-(cyclohexylmethyl)-4-(2-methoxyethyl)-1,4-diazepan-5-one
SMILESCOCCN1CCN(CC2CCCCC2)CCC1=O
InChIInChI=1S/C15H28N2O2/c1-19-12-11-17-10-9-16(8-7-15(17)18)13-14-5-3-2-4-6-14/h14H,2-13H2,1H3
InChIKeyKTLLVLPIAPODBK-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.75
Rot. Bonds5

About 1-(cyclohexylmethyl)-4-(2-methoxyethyl)-1,4-diazepan-5-one

1-(cyclohexylmethyl)-4-(2-methoxyethyl)-1,4-diazepan-5-one (PubChem CID 26316520) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-(2-methoxyethyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-4-(2-methoxyethyl)-1,4-diazepan-5-one
PubChem CID26316520
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-(cyclohexylmethyl)-4-(2-methoxyethyl)-1,4-diazepan-5-one
SMILESCOCCN1CCN(CC2CCCCC2)CCC1=O
InChIInChI=1S/C15H28N2O2/c1-19-12-11-17-10-9-16(8-7-15(17)18)13-14-5-3-2-4-6-14/h14H,2-13H2,1H3
InChIKeyKTLLVLPIAPODBK-UHFFFAOYSA-N
XLogP1.75
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclohexylmethyl)-5-(2-methoxyethyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 155876673
1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]azepane
CID 47042992
1-(2-methoxyethyl)-4-(piperidin-4-ylmethyl)piperazine-2,3-dione
CID 83290625
3-(2-methoxyethyl)-1-(piperidin-4-ylmethyl)imidazolidin-4-one;hydrochloride
CID 120857386
4-(2-methoxyethyl)-1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]-1,4-diazepan-5-one
CID 26338640
4-(2-methoxyethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-5-one
CID 42500639
9-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97126724
ethane;4-ethyl-1-(2-methoxyethyl)piperidin-2-one
CID 142537667
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(2-phenoxyethyl)-1,4-diazepan-5-one
CID 42501749
1-(cyclopentylmethyl)pyrrolidin-3-one
CID 43371123
(4S)-4-[[4-(2,5-dichlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 125169632
(6R)-8-(2-cyclopentylacetyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97153831

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-4-(2-methoxyethyl)-1,4-diazepan-5-one?
The IUPAC name of 1-(cyclohexylmethyl)-4-(2-methoxyethyl)-1,4-diazepan-5-one (CID 26316520) is 1-(cyclohexylmethyl)-4-(2-methoxyethyl)-1,4-diazepan-5-one.
What is the SMILES notation for 1-(cyclohexylmethyl)-4-(2-methoxyethyl)-1,4-diazepan-5-one?
The canonical SMILES for 1-(cyclohexylmethyl)-4-(2-methoxyethyl)-1,4-diazepan-5-one is COCCN1CCN(CC2CCCCC2)CCC1=O.
What is the InChIKey of 1-(cyclohexylmethyl)-4-(2-methoxyethyl)-1,4-diazepan-5-one?
The InChIKey is KTLLVLPIAPODBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-19-12-11-17-10-9-16(8-7-15(17)18)13-14-5-3-2-4-6-14/h14H,2-13H2,1H3.
What are the key properties of 1-(cyclohexylmethyl)-4-(2-methoxyethyl)-1,4-diazepan-5-one?
1-(cyclohexylmethyl)-4-(2-methoxyethyl)-1,4-diazepan-5-one has a molecular weight of 268.40 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-4-(2-methoxyethyl)-1,4-diazepan-5-one is sourced from PubChem (CID 26316520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).