3-benzyl-2-methylhept-2-enamide

C15H21NO — CID 174958499

IUPAC3-benzyl-2-methylhept-2-enamide
SMILESCCCCC(Cc1ccccc1)=C(C)C(N)=O
InChIInChI=1S/C15H21NO/c1-3-4-10-14(12(2)15(16)17)11-13-8-6-5-7-9-13/h5-9H,3-4,10-11H2,1-2H3,(H2,16,17)
InChIKeyOXIQVVAHEPZERE-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.22
Rot. Bonds6

About 3-benzyl-2-methylhept-2-enamide

3-benzyl-2-methylhept-2-enamide (PubChem CID 174958499) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-benzyl-2-methylhept-2-enamide.

Molecular Properties

Compound Name3-benzyl-2-methylhept-2-enamide
PubChem CID174958499
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name3-benzyl-2-methylhept-2-enamide
SMILESCCCCC(Cc1ccccc1)=C(C)C(N)=O
InChIInChI=1S/C15H21NO/c1-3-4-10-14(12(2)15(16)17)11-13-8-6-5-7-9-13/h5-9H,3-4,10-11H2,1-2H3,(H2,16,17)
InChIKeyOXIQVVAHEPZERE-UHFFFAOYSA-N
XLogP3.22
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethyl-4-phenylbut-2-enamide
CID 151107592
butyl 3-benzyl-2-butylhept-2-enoate
CID 57109703
[(2Z)-2-decan-2-ylidenedodecyl]benzene
CID 91256023
azane;2-benzyl-3-propylhex-2-enamide
CID 175253632
2-benzyl-3-phenylprop-1-ene-1,1-diamine
CID 23499817
acetic acid;2-oxo-3-phenylpropanamide
CID 143555968
1-phenylheptadecan-2-one
CID 12920609
2-phenylacetamide;1-phenylhexan-1-one
CID 174766102
2-amino-1-phenylheptan-3-one;hydrochloride
CID 142731464
acetamide;propylbenzene
CID 142238516
butylbenzene;hydroxylamine
CID 175142403
amino 3-benzyl-2-(2-methylbutan-2-yl)pentadec-2-enoate
CID 54442070

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-methylhept-2-enamide?
The IUPAC name of 3-benzyl-2-methylhept-2-enamide (CID 174958499) is 3-benzyl-2-methylhept-2-enamide.
What is the SMILES notation for 3-benzyl-2-methylhept-2-enamide?
The canonical SMILES for 3-benzyl-2-methylhept-2-enamide is CCCCC(Cc1ccccc1)=C(C)C(N)=O.
What is the InChIKey of 3-benzyl-2-methylhept-2-enamide?
The InChIKey is OXIQVVAHEPZERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-4-10-14(12(2)15(16)17)11-13-8-6-5-7-9-13/h5-9H,3-4,10-11H2,1-2H3,(H2,16,17).
What are the key properties of 3-benzyl-2-methylhept-2-enamide?
3-benzyl-2-methylhept-2-enamide has a molecular weight of 231.34 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-methylhept-2-enamide is sourced from PubChem (CID 174958499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).