N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide

C24H30N2O3 — CID 86962560

IUPACN-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
SMILESCC(NC(=O)/C=C/c1ccccc1)C(=O)NCC(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H30N2O3/c1-17(26-22(28)15-10-18-8-6-5-7-9-18)23(29)25-16-21(27)19-11-13-20(14-12-19)24(2,3)4/h5-15,17,21,27H,16H2,1-4H3,(H,25,29)(H,26,28)/b15-10+
InChIKeyJPCFDCHOBRHWKL-XNTDXEJSSA-N
MW394.52 g/mol
LogP3.35
Rot. Bonds7

About N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide

N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide (PubChem CID 86962560) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
PubChem CID86962560
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC NameN-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
SMILESCC(NC(=O)/C=C/c1ccccc1)C(=O)NCC(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H30N2O3/c1-17(26-22(28)15-10-18-8-6-5-7-9-18)23(29)25-16-21(27)19-11-13-20(14-12-19)24(2,3)4/h5-15,17,21,27H,16H2,1-4H3,(H,25,29)(H,26,28)/b15-10+
InChIKeyJPCFDCHOBRHWKL-XNTDXEJSSA-N
XLogP3.35
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
The IUPAC name of N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide (CID 86962560) is N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
The canonical SMILES for N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide is CC(NC(=O)/C=C/c1ccccc1)C(=O)NCC(O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
The InChIKey is JPCFDCHOBRHWKL-XNTDXEJSSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-17(26-22(28)15-10-18-8-6-5-7-9-18)23(29)25-16-21(27)19-11-13-20(14-12-19)24(2,3)4/h5-15,17,21,27H,16H2,1-4H3,(H,25,29)(H,26,28)/b15-10+.
What are the key properties of N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide has a molecular weight of 394.52 g/mol, XLogP of 3.35, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide is sourced from PubChem (CID 86962560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).