(E)-4-amino-3-benzyl-2-pentan-3-ylpent-2-enamide

C17H26N2O — CID 164769140

IUPAC(E)-4-amino-3-benzyl-2-pentan-3-ylpent-2-enamide
SMILESCCC(CC)/C(C(N)=O)=C(/Cc1ccccc1)C(C)N
InChIInChI=1S/C17H26N2O/c1-4-14(5-2)16(17(19)20)15(12(3)18)11-13-9-7-6-8-10-13/h6-10,12,14H,4-5,11,18H2,1-3H3,(H2,19,20)/b16-15+
InChIKeyBLNNIQVUWDBUFG-FOCLMDBBSA-N
MW274.41 g/mol
LogP2.79
Rot. Bonds7

About (E)-4-amino-3-benzyl-2-pentan-3-ylpent-2-enamide

(E)-4-amino-3-benzyl-2-pentan-3-ylpent-2-enamide (PubChem CID 164769140) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (E)-4-amino-3-benzyl-2-pentan-3-ylpent-2-enamide.

Molecular Properties

Compound Name(E)-4-amino-3-benzyl-2-pentan-3-ylpent-2-enamide
PubChem CID164769140
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(E)-4-amino-3-benzyl-2-pentan-3-ylpent-2-enamide
SMILESCCC(CC)/C(C(N)=O)=C(/Cc1ccccc1)C(C)N
InChIInChI=1S/C17H26N2O/c1-4-14(5-2)16(17(19)20)15(12(3)18)11-13-9-7-6-8-10-13/h6-10,12,14H,4-5,11,18H2,1-3H3,(H2,19,20)/b16-15+
InChIKeyBLNNIQVUWDBUFG-FOCLMDBBSA-N
XLogP2.79
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-4-amino-3-benzyl-2-pentan-3-ylpent-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-4-amino-3-benzyl-2-phenylpent-2-enoic acid
CID 174555698
4,5,5-trimethyl-1-phenylhexan-2-one
CID 63832749
2-benzyl-3,3-dihydroxyprop-2-enamide
CID 174845714
(2S)-2-amino-3-phenylpropanoic acid;bis((2S)-2-aminopropanoic acid)
CID 67264912
acetic acid;2-oxo-3-phenylpropanamide
CID 143555968
azane;2-benzyl-3-propylhex-2-enamide
CID 175253632
2,3-dimethyl-4-phenylbut-2-enamide
CID 151107592
3-amino-1,4-diphenylbutan-2-one
CID 20792391
benzyl (2S)-2-aminopropanoate
CID 726858
2-methylpropyl 2-benzylbutanoate
CID 163514703
2-[(benzylamino)methyl]butanamide
CID 71433052
ethyl (2S)-2-methyl-4-oxo-5-phenylpentanoate
CID 146342597

Frequently Asked Questions

What is the IUPAC name of (E)-4-amino-3-benzyl-2-pentan-3-ylpent-2-enamide?
The IUPAC name of (E)-4-amino-3-benzyl-2-pentan-3-ylpent-2-enamide (CID 164769140) is (E)-4-amino-3-benzyl-2-pentan-3-ylpent-2-enamide.
What is the SMILES notation for (E)-4-amino-3-benzyl-2-pentan-3-ylpent-2-enamide?
The canonical SMILES for (E)-4-amino-3-benzyl-2-pentan-3-ylpent-2-enamide is CCC(CC)/C(C(N)=O)=C(/Cc1ccccc1)C(C)N.
What is the InChIKey of (E)-4-amino-3-benzyl-2-pentan-3-ylpent-2-enamide?
The InChIKey is BLNNIQVUWDBUFG-FOCLMDBBSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-14(5-2)16(17(19)20)15(12(3)18)11-13-9-7-6-8-10-13/h6-10,12,14H,4-5,11,18H2,1-3H3,(H2,19,20)/b16-15+.
What are the key properties of (E)-4-amino-3-benzyl-2-pentan-3-ylpent-2-enamide?
(E)-4-amino-3-benzyl-2-pentan-3-ylpent-2-enamide has a molecular weight of 274.41 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-amino-3-benzyl-2-pentan-3-ylpent-2-enamide is sourced from PubChem (CID 164769140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).