N-acetyl-3-phenyl-N-[4-(3-phenylprop-2-enoylamino)butyl]propanamide

C24H28N2O3 — CID 85180815

IUPACN-acetyl-3-phenyl-N-[4-(3-phenylprop-2-enoylamino)butyl]propanamide
SMILESCC(=O)N(CCCCNC(=O)C=Cc1ccccc1)C(=O)CCc1ccccc1
InChIInChI=1S/C24H28N2O3/c1-20(27)26(24(29)17-15-22-12-6-3-7-13-22)19-9-8-18-25-23(28)16-14-21-10-4-2-5-11-21/h2-7,10-14,16H,8-9,15,17-19H2,1H3,(H,25,28)
InChIKeyJEZVLNLOENILMI-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.60
Rot. Bonds10

About N-acetyl-3-phenyl-N-[4-(3-phenylprop-2-enoylamino)butyl]propanamide

N-acetyl-3-phenyl-N-[4-(3-phenylprop-2-enoylamino)butyl]propanamide (PubChem CID 85180815) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-acetyl-3-phenyl-N-[4-(3-phenylprop-2-enoylamino)butyl]propanamide.

Molecular Properties

Compound NameN-acetyl-3-phenyl-N-[4-(3-phenylprop-2-enoylamino)butyl]propanamide
PubChem CID85180815
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC NameN-acetyl-3-phenyl-N-[4-(3-phenylprop-2-enoylamino)butyl]propanamide
SMILESCC(=O)N(CCCCNC(=O)C=Cc1ccccc1)C(=O)CCc1ccccc1
InChIInChI=1S/C24H28N2O3/c1-20(27)26(24(29)17-15-22-12-6-3-7-13-22)19-9-8-18-25-23(28)16-14-21-10-4-2-5-11-21/h2-7,10-14,16H,8-9,15,17-19H2,1H3,(H,25,28)
InChIKeyJEZVLNLOENILMI-UHFFFAOYSA-N
XLogP3.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-acetyl-3-phenyl-N-[4-(3-phenylprop-2-enoylamino)butyl]propanamide?
The IUPAC name of N-acetyl-3-phenyl-N-[4-(3-phenylprop-2-enoylamino)butyl]propanamide (CID 85180815) is N-acetyl-3-phenyl-N-[4-(3-phenylprop-2-enoylamino)butyl]propanamide.
What is the SMILES notation for N-acetyl-3-phenyl-N-[4-(3-phenylprop-2-enoylamino)butyl]propanamide?
The canonical SMILES for N-acetyl-3-phenyl-N-[4-(3-phenylprop-2-enoylamino)butyl]propanamide is CC(=O)N(CCCCNC(=O)C=Cc1ccccc1)C(=O)CCc1ccccc1.
What is the InChIKey of N-acetyl-3-phenyl-N-[4-(3-phenylprop-2-enoylamino)butyl]propanamide?
The InChIKey is JEZVLNLOENILMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-20(27)26(24(29)17-15-22-12-6-3-7-13-22)19-9-8-18-25-23(28)16-14-21-10-4-2-5-11-21/h2-7,10-14,16H,8-9,15,17-19H2,1H3,(H,25,28).
What are the key properties of N-acetyl-3-phenyl-N-[4-(3-phenylprop-2-enoylamino)butyl]propanamide?
N-acetyl-3-phenyl-N-[4-(3-phenylprop-2-enoylamino)butyl]propanamide has a molecular weight of 392.50 g/mol, XLogP of 3.60, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-3-phenyl-N-[4-(3-phenylprop-2-enoylamino)butyl]propanamide is sourced from PubChem (CID 85180815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).