N-benzyl-2-methylidenepentanamide

C13H17NO — CID 130015312

IUPACN-benzyl-2-methylidenepentanamide
SMILESC=C(CCC)C(=O)NCc1ccccc1
InChIInChI=1S/C13H17NO/c1-3-7-11(2)13(15)14-10-12-8-5-4-6-9-12/h4-6,8-9H,2-3,7,10H2,1H3,(H,14,15)
InChIKeyBRGCYMFQSGWQLJ-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.66
Rot. Bonds5

About N-benzyl-2-methylidenepentanamide

N-benzyl-2-methylidenepentanamide (PubChem CID 130015312) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is N-benzyl-2-methylidenepentanamide.

Molecular Properties

Compound NameN-benzyl-2-methylidenepentanamide
PubChem CID130015312
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC NameN-benzyl-2-methylidenepentanamide
SMILESC=C(CCC)C(=O)NCc1ccccc1
InChIInChI=1S/C13H17NO/c1-3-7-11(2)13(15)14-10-12-8-5-4-6-9-12/h4-6,8-9H,2-3,7,10H2,1H3,(H,14,15)
InChIKeyBRGCYMFQSGWQLJ-UHFFFAOYSA-N
XLogP2.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.66
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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methylidenepentanamide?
The IUPAC name of N-benzyl-2-methylidenepentanamide (CID 130015312) is N-benzyl-2-methylidenepentanamide.
What is the SMILES notation for N-benzyl-2-methylidenepentanamide?
The canonical SMILES for N-benzyl-2-methylidenepentanamide is C=C(CCC)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-methylidenepentanamide?
The InChIKey is BRGCYMFQSGWQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-3-7-11(2)13(15)14-10-12-8-5-4-6-9-12/h4-6,8-9H,2-3,7,10H2,1H3,(H,14,15).
What are the key properties of N-benzyl-2-methylidenepentanamide?
N-benzyl-2-methylidenepentanamide has a molecular weight of 203.28 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methylidenepentanamide is sourced from PubChem (CID 130015312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).