2-[[(E)-but-2-enoyl]-butylamino]-N-cyclohexylbutanamide

C18H32N2O2 — CID 154585413

IUPAC2-[[(E)-but-2-enoyl]-butylamino]-N-cyclohexylbutanamide
SMILESC/C=C/C(=O)N(CCCC)C(CC)C(=O)NC1CCCCC1
InChIInChI=1S/C18H32N2O2/c1-4-7-14-20(17(21)11-5-2)16(6-3)18(22)19-15-12-9-8-10-13-15/h5,11,15-16H,4,6-10,12-14H2,1-3H3,(H,19,22)/b11-5+
InChIKeyCMQOSWNHMUHIJJ-VZUCSPMQSA-N
MW308.47 g/mol
LogP3.42
Rot. Bonds8

About 2-[[(E)-but-2-enoyl]-butylamino]-N-cyclohexylbutanamide

2-[[(E)-but-2-enoyl]-butylamino]-N-cyclohexylbutanamide (PubChem CID 154585413) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 2-[[(E)-but-2-enoyl]-butylamino]-N-cyclohexylbutanamide.

Molecular Properties

Compound Name2-[[(E)-but-2-enoyl]-butylamino]-N-cyclohexylbutanamide
PubChem CID154585413
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name2-[[(E)-but-2-enoyl]-butylamino]-N-cyclohexylbutanamide
SMILESC/C=C/C(=O)N(CCCC)C(CC)C(=O)NC1CCCCC1
InChIInChI=1S/C18H32N2O2/c1-4-7-14-20(17(21)11-5-2)16(6-3)18(22)19-15-12-9-8-10-13-15/h5,11,15-16H,4,6-10,12-14H2,1-3H3,(H,19,22)/b11-5+
InChIKeyCMQOSWNHMUHIJJ-VZUCSPMQSA-N
XLogP3.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-[[(E)-but-2-enoyl]-butylamino]-N-cyclohexylbutanamide?
The IUPAC name of 2-[[(E)-but-2-enoyl]-butylamino]-N-cyclohexylbutanamide (CID 154585413) is 2-[[(E)-but-2-enoyl]-butylamino]-N-cyclohexylbutanamide.
What is the SMILES notation for 2-[[(E)-but-2-enoyl]-butylamino]-N-cyclohexylbutanamide?
The canonical SMILES for 2-[[(E)-but-2-enoyl]-butylamino]-N-cyclohexylbutanamide is C/C=C/C(=O)N(CCCC)C(CC)C(=O)NC1CCCCC1.
What is the InChIKey of 2-[[(E)-but-2-enoyl]-butylamino]-N-cyclohexylbutanamide?
The InChIKey is CMQOSWNHMUHIJJ-VZUCSPMQSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-4-7-14-20(17(21)11-5-2)16(6-3)18(22)19-15-12-9-8-10-13-15/h5,11,15-16H,4,6-10,12-14H2,1-3H3,(H,19,22)/b11-5+.
What are the key properties of 2-[[(E)-but-2-enoyl]-butylamino]-N-cyclohexylbutanamide?
2-[[(E)-but-2-enoyl]-butylamino]-N-cyclohexylbutanamide has a molecular weight of 308.47 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-but-2-enoyl]-butylamino]-N-cyclohexylbutanamide is sourced from PubChem (CID 154585413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).