N-(1-cyclohexyl-3-methyl-2-oxobut-3-enyl)butanamide;molecular hydrogen

C15H27NO2 — CID 145466744

IUPACN-(1-cyclohexyl-3-methyl-2-oxobut-3-enyl)butanamide;molecular hydrogen
SMILESC=C(C)C(=O)C(NC(=O)CCC)C1CCCCC1.[H][H]
InChIInChI=1S/C15H25NO2.H2/c1-4-8-13(17)16-14(15(18)11(2)3)12-9-6-5-7-10-12;/h12,14H,2,4-10H2,1,3H3,(H,16,17);1H
InChIKeyIJEWORHJMWKFNC-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.24
Rot. Bonds6

About N-(1-cyclohexyl-3-methyl-2-oxobut-3-enyl)butanamide;molecular hydrogen

N-(1-cyclohexyl-3-methyl-2-oxobut-3-enyl)butanamide;molecular hydrogen (PubChem CID 145466744) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-(1-cyclohexyl-3-methyl-2-oxobut-3-enyl)butanamide;molecular hydrogen.

Molecular Properties

Compound NameN-(1-cyclohexyl-3-methyl-2-oxobut-3-enyl)butanamide;molecular hydrogen
PubChem CID145466744
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC NameN-(1-cyclohexyl-3-methyl-2-oxobut-3-enyl)butanamide;molecular hydrogen
SMILESC=C(C)C(=O)C(NC(=O)CCC)C1CCCCC1.[H][H]
InChIInChI=1S/C15H25NO2.H2/c1-4-8-13(17)16-14(15(18)11(2)3)12-9-6-5-7-10-12;/h12,14H,2,4-10H2,1,3H3,(H,16,17);1H
InChIKeyIJEWORHJMWKFNC-UHFFFAOYSA-N
XLogP3.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.24
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 N-(1-cyclohexyl-3-methyl-2-oxobut-3-enyl)butanamide;molecular hydrogen?
The IUPAC name of N-(1-cyclohexyl-3-methyl-2-oxobut-3-enyl)butanamide;molecular hydrogen (CID 145466744) is N-(1-cyclohexyl-3-methyl-2-oxobut-3-enyl)butanamide;molecular hydrogen.
What is the SMILES notation for N-(1-cyclohexyl-3-methyl-2-oxobut-3-enyl)butanamide;molecular hydrogen?
The canonical SMILES for N-(1-cyclohexyl-3-methyl-2-oxobut-3-enyl)butanamide;molecular hydrogen is C=C(C)C(=O)C(NC(=O)CCC)C1CCCCC1.[H][H].
What is the InChIKey of N-(1-cyclohexyl-3-methyl-2-oxobut-3-enyl)butanamide;molecular hydrogen?
The InChIKey is IJEWORHJMWKFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2.H2/c1-4-8-13(17)16-14(15(18)11(2)3)12-9-6-5-7-10-12;/h12,14H,2,4-10H2,1,3H3,(H,16,17);1H.
What are the key properties of N-(1-cyclohexyl-3-methyl-2-oxobut-3-enyl)butanamide;molecular hydrogen?
N-(1-cyclohexyl-3-methyl-2-oxobut-3-enyl)butanamide;molecular hydrogen has a molecular weight of 253.39 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-3-methyl-2-oxobut-3-enyl)butanamide;molecular hydrogen is sourced from PubChem (CID 145466744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).