2-acetamido-N-butan-2-yl-3-phenylprop-2-enamide

C15H20N2O2 — CID 5008732

IUPAC2-acetamido-N-butan-2-yl-3-phenylprop-2-enamide
SMILESCCC(C)NC(=O)C(=Cc1ccccc1)NC(C)=O
InChIInChI=1S/C15H20N2O2/c1-4-11(2)16-15(19)14(17-12(3)18)10-13-8-6-5-7-9-13/h5-11H,4H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyYGFPDHDBHHEJMH-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.08
Rot. Bonds5

About 2-acetamido-N-butan-2-yl-3-phenylprop-2-enamide

2-acetamido-N-butan-2-yl-3-phenylprop-2-enamide (PubChem CID 5008732) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-acetamido-N-butan-2-yl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name2-acetamido-N-butan-2-yl-3-phenylprop-2-enamide
PubChem CID5008732
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-acetamido-N-butan-2-yl-3-phenylprop-2-enamide
SMILESCCC(C)NC(=O)C(=Cc1ccccc1)NC(C)=O
InChIInChI=1S/C15H20N2O2/c1-4-11(2)16-15(19)14(17-12(3)18)10-13-8-6-5-7-9-13/h5-11H,4H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyYGFPDHDBHHEJMH-UHFFFAOYSA-N
XLogP2.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.08
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

(Z)-N-butan-2-yl-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide
CID 155297574
(2R)-2-[[(Z)-2-acetamido-3-phenylprop-2-enoyl]amino]-4-methylpentanoic acid
CID 2297740
(Z)-N-butan-2-yl-2-fluoro-3-phenylprop-2-enamide
CID 155664674
(2R)-2-[(2-acetamido-3-phenylprop-2-enoyl)amino]-3-phenylpropanoic acid
CID 7031698
2-[(2-acetamido-3-phenylprop-2-enoyl)amino]-3-phenylpropanoic acid
CID 2837460
N-(3-hydrazinyl-3-oxo-1-phenylprop-1-en-2-yl)acetamide
CID 53412410
N-[(Z)-3-(2,2-dimethylhydrazinyl)-3-oxo-1-phenylprop-1-en-2-yl]acetamide
CID 9163961
2-acetamido-N-(4-acetamidophenyl)-3-phenylprop-2-enamide
CID 3527723
2-[(2-acetamido-3-phenylprop-2-enoyl)amino]benzoic acid
CID 139795518
2-acetamido-N-(2-hydroxyphenyl)-3-phenylprop-2-enamide
CID 4947897
N-[(E)-3-[4-[(E)-2-acetamido-3-phenylprop-2-enoyl]piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]acetamide
CID 5442372
(Z)-2-acetamido-3-phenyl-N-(4-phenylphenyl)prop-2-enamide
CID 9206311

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-butan-2-yl-3-phenylprop-2-enamide?
The IUPAC name of 2-acetamido-N-butan-2-yl-3-phenylprop-2-enamide (CID 5008732) is 2-acetamido-N-butan-2-yl-3-phenylprop-2-enamide.
What is the SMILES notation for 2-acetamido-N-butan-2-yl-3-phenylprop-2-enamide?
The canonical SMILES for 2-acetamido-N-butan-2-yl-3-phenylprop-2-enamide is CCC(C)NC(=O)C(=Cc1ccccc1)NC(C)=O.
What is the InChIKey of 2-acetamido-N-butan-2-yl-3-phenylprop-2-enamide?
The InChIKey is YGFPDHDBHHEJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-11(2)16-15(19)14(17-12(3)18)10-13-8-6-5-7-9-13/h5-11H,4H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 2-acetamido-N-butan-2-yl-3-phenylprop-2-enamide?
2-acetamido-N-butan-2-yl-3-phenylprop-2-enamide has a molecular weight of 260.34 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-butan-2-yl-3-phenylprop-2-enamide is sourced from PubChem (CID 5008732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).