1-cyclohexyl-3-[[(E)-3-cyclopentyl-3-oxoprop-1-enyl]-methylamino]propan-1-one

C18H29NO2 — CID 110183901

IUPAC1-cyclohexyl-3-[[(E)-3-cyclopentyl-3-oxoprop-1-enyl]-methylamino]propan-1-one
SMILESCN(/C=C/C(=O)C1CCCC1)CCC(=O)C1CCCCC1
InChIInChI=1S/C18H29NO2/c1-19(14-12-18(21)16-9-5-6-10-16)13-11-17(20)15-7-3-2-4-8-15/h12,14-16H,2-11,13H2,1H3/b14-12+
InChIKeyRAMQIABPCHNQDB-WYMLVPIESA-N
MW291.43 g/mol
LogP3.73
Rot. Bonds7

About 1-cyclohexyl-3-[[(E)-3-cyclopentyl-3-oxoprop-1-enyl]-methylamino]propan-1-one

1-cyclohexyl-3-[[(E)-3-cyclopentyl-3-oxoprop-1-enyl]-methylamino]propan-1-one (PubChem CID 110183901) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is 1-cyclohexyl-3-[[(E)-3-cyclopentyl-3-oxoprop-1-enyl]-methylamino]propan-1-one.

Molecular Properties

Compound Name1-cyclohexyl-3-[[(E)-3-cyclopentyl-3-oxoprop-1-enyl]-methylamino]propan-1-one
PubChem CID110183901
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC Name1-cyclohexyl-3-[[(E)-3-cyclopentyl-3-oxoprop-1-enyl]-methylamino]propan-1-one
SMILESCN(/C=C/C(=O)C1CCCC1)CCC(=O)C1CCCCC1
InChIInChI=1S/C18H29NO2/c1-19(14-12-18(21)16-9-5-6-10-16)13-11-17(20)15-7-3-2-4-8-15/h12,14-16H,2-11,13H2,1H3/b14-12+
InChIKeyRAMQIABPCHNQDB-WYMLVPIESA-N
XLogP3.73
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[[(E)-3-cyclopentyl-3-oxoprop-1-enyl]-methylamino]propan-1-one?
The IUPAC name of 1-cyclohexyl-3-[[(E)-3-cyclopentyl-3-oxoprop-1-enyl]-methylamino]propan-1-one (CID 110183901) is 1-cyclohexyl-3-[[(E)-3-cyclopentyl-3-oxoprop-1-enyl]-methylamino]propan-1-one.
What is the SMILES notation for 1-cyclohexyl-3-[[(E)-3-cyclopentyl-3-oxoprop-1-enyl]-methylamino]propan-1-one?
The canonical SMILES for 1-cyclohexyl-3-[[(E)-3-cyclopentyl-3-oxoprop-1-enyl]-methylamino]propan-1-one is CN(/C=C/C(=O)C1CCCC1)CCC(=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[[(E)-3-cyclopentyl-3-oxoprop-1-enyl]-methylamino]propan-1-one?
The InChIKey is RAMQIABPCHNQDB-WYMLVPIESA-N. The full InChI is InChI=1S/C18H29NO2/c1-19(14-12-18(21)16-9-5-6-10-16)13-11-17(20)15-7-3-2-4-8-15/h12,14-16H,2-11,13H2,1H3/b14-12+.
What are the key properties of 1-cyclohexyl-3-[[(E)-3-cyclopentyl-3-oxoprop-1-enyl]-methylamino]propan-1-one?
1-cyclohexyl-3-[[(E)-3-cyclopentyl-3-oxoprop-1-enyl]-methylamino]propan-1-one has a molecular weight of 291.43 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[[(E)-3-cyclopentyl-3-oxoprop-1-enyl]-methylamino]propan-1-one is sourced from PubChem (CID 110183901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).