azane;2-benzyl-3-propylhex-2-enamide

C16H26N2O — CID 175253632

IUPACazane;2-benzyl-3-propylhex-2-enamide
SMILESCCCC(CCC)=C(Cc1ccccc1)C(N)=O.N
InChIInChI=1S/C16H23NO.H3N/c1-3-8-14(9-4-2)15(16(17)18)12-13-10-6-5-7-11-13;/h5-7,10-11H,3-4,8-9,12H2,1-2H3,(H2,17,18);1H3
InChIKeyRUVVCAKIKRJLOL-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.77
Rot. Bonds7

About azane;2-benzyl-3-propylhex-2-enamide

azane;2-benzyl-3-propylhex-2-enamide (PubChem CID 175253632) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is azane;2-benzyl-3-propylhex-2-enamide.

Molecular Properties

Compound Nameazane;2-benzyl-3-propylhex-2-enamide
PubChem CID175253632
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Nameazane;2-benzyl-3-propylhex-2-enamide
SMILESCCCC(CCC)=C(Cc1ccccc1)C(N)=O.N
InChIInChI=1S/C16H23NO.H3N/c1-3-8-14(9-4-2)15(16(17)18)12-13-10-6-5-7-11-13;/h5-7,10-11H,3-4,8-9,12H2,1-2H3,(H2,17,18);1H3
InChIKeyRUVVCAKIKRJLOL-UHFFFAOYSA-N
XLogP3.77
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-benzyl-3,3-dihydroxyprop-2-enamide
CID 174845714
3-benzyl-2-methylhept-2-enamide
CID 174958499
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4-benzylhept-3-en-1-yn-3-ol
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benzene;1-phenylpropan-2-one
CID 21430852
2-benzyl-3-phenylprop-1-ene-1,1-diamine
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CID 54432060
2,3-dimethyl-4-phenylbut-2-enamide
CID 151107592
(E)-3-amino-2-benzyl-1-phenylbut-2-en-1-one
CID 102583104
CID 66648455
CID 66648455
3-phenyl-2-sulfanylidenepropanamide
CID 22372575

Frequently Asked Questions

What is the IUPAC name of azane;2-benzyl-3-propylhex-2-enamide?
The IUPAC name of azane;2-benzyl-3-propylhex-2-enamide (CID 175253632) is azane;2-benzyl-3-propylhex-2-enamide.
What is the SMILES notation for azane;2-benzyl-3-propylhex-2-enamide?
The canonical SMILES for azane;2-benzyl-3-propylhex-2-enamide is CCCC(CCC)=C(Cc1ccccc1)C(N)=O.N.
What is the InChIKey of azane;2-benzyl-3-propylhex-2-enamide?
The InChIKey is RUVVCAKIKRJLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO.H3N/c1-3-8-14(9-4-2)15(16(17)18)12-13-10-6-5-7-11-13;/h5-7,10-11H,3-4,8-9,12H2,1-2H3,(H2,17,18);1H3.
What are the key properties of azane;2-benzyl-3-propylhex-2-enamide?
azane;2-benzyl-3-propylhex-2-enamide has a molecular weight of 262.40 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-benzyl-3-propylhex-2-enamide is sourced from PubChem (CID 175253632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).