N-[(E)-1-acetamido-3-phenylprop-2-enyl]acetamide

C13H16N2O2 — CID 6444559

IUPACN-[(E)-1-acetamido-3-phenylprop-2-enyl]acetamide
SMILESCC(=O)NC(/C=C/c1ccccc1)NC(C)=O
InChIInChI=1S/C13H16N2O2/c1-10(16)14-13(15-11(2)17)9-8-12-6-4-3-5-7-12/h3-9,13H,1-2H3,(H,14,16)(H,15,17)/b9-8+
InChIKeyXBCSIRCTFBPFHM-CMDGGOBGSA-N
MW232.28 g/mol
LogP1.30
Rot. Bonds4

About N-[(E)-1-acetamido-3-phenylprop-2-enyl]acetamide

N-[(E)-1-acetamido-3-phenylprop-2-enyl]acetamide (PubChem CID 6444559) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-[(E)-1-acetamido-3-phenylprop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[(E)-1-acetamido-3-phenylprop-2-enyl]acetamide
PubChem CID6444559
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-[(E)-1-acetamido-3-phenylprop-2-enyl]acetamide
SMILESCC(=O)NC(/C=C/c1ccccc1)NC(C)=O
InChIInChI=1S/C13H16N2O2/c1-10(16)14-13(15-11(2)17)9-8-12-6-4-3-5-7-12/h3-9,13H,1-2H3,(H,14,16)(H,15,17)/b9-8+
InChIKeyXBCSIRCTFBPFHM-CMDGGOBGSA-N
XLogP1.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-(4-phenylbutylamino)-1H-pyrimidine-2,4-dione
CID 309844
N,N'-Benzylidenebisacetamide
CID 23346
Cinnamamide, N-allyl-, (E)-
CID 5371820
Cinnamamide, N-allyl-alpha-methyl-
CID 6435635
(E)-3-phenyl-N-[2,2,2-trichloro-1-[3-(dimethylamino)propylamino]ethyl]prop-2-enamide
CID 5900927
1-Butan-2-yl-3-(3-phenylpropyl)urea
CID 45366530
1-[(2S)-butan-2-yl]-3-(3-phenylpropyl)urea
CID 93534208
Odorine
CID 23242585
(2E)-3-phenyl-N-[2,2,2-trichloro-1-(propan-2-ylamino)ethyl]prop-2-enamide
CID 5754800
(2E)-N-pentyl-3-phenylprop-2-enamide
CID 5385502
3,3-Dimethyl-1-(2-phenylethyl)urea
CID 12441924
3-methyl-6-[(2-phenylethyl)amino]pyrimidine-2,4(1H,3H)-dione
CID 385872

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-acetamido-3-phenylprop-2-enyl]acetamide?
The IUPAC name of N-[(E)-1-acetamido-3-phenylprop-2-enyl]acetamide (CID 6444559) is N-[(E)-1-acetamido-3-phenylprop-2-enyl]acetamide.
What is the SMILES notation for N-[(E)-1-acetamido-3-phenylprop-2-enyl]acetamide?
The canonical SMILES for N-[(E)-1-acetamido-3-phenylprop-2-enyl]acetamide is CC(=O)NC(/C=C/c1ccccc1)NC(C)=O.
What is the InChIKey of N-[(E)-1-acetamido-3-phenylprop-2-enyl]acetamide?
The InChIKey is XBCSIRCTFBPFHM-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-10(16)14-13(15-11(2)17)9-8-12-6-4-3-5-7-12/h3-9,13H,1-2H3,(H,14,16)(H,15,17)/b9-8+.
What are the key properties of N-[(E)-1-acetamido-3-phenylprop-2-enyl]acetamide?
N-[(E)-1-acetamido-3-phenylprop-2-enyl]acetamide has a molecular weight of 232.28 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-acetamido-3-phenylprop-2-enyl]acetamide is sourced from PubChem (CID 6444559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).