N-[(3-ethylimidazol-4-yl)methyl]-2-[(3S)-4-[(E)-3-phenylprop-2-enyl]morpholin-3-yl]acetamide

C21H28N4O2 — CID 95873924

IUPACN-[(3-ethylimidazol-4-yl)methyl]-2-[(3S)-4-[(E)-3-phenylprop-2-enyl]morpholin-3-yl]acetamide
SMILESCCn1cncc1CNC(=O)C[C@H]1COCCN1C/C=C/c1ccccc1
InChIInChI=1S/C21H28N4O2/c1-2-24-17-22-14-20(24)15-23-21(26)13-19-16-27-12-11-25(19)10-6-9-18-7-4-3-5-8-18/h3-9,14,17,19H,2,10-13,15-16H2,1H3,(H,23,26)/b9-6+/t19-/m0/s1
InChIKeyIELRHGUSDKYDNX-AIADIJKESA-N
MW368.48 g/mol
LogP2.32
Rot. Bonds8

About N-[(3-ethylimidazol-4-yl)methyl]-2-[(3S)-4-[(E)-3-phenylprop-2-enyl]morpholin-3-yl]acetamide

N-[(3-ethylimidazol-4-yl)methyl]-2-[(3S)-4-[(E)-3-phenylprop-2-enyl]morpholin-3-yl]acetamide (PubChem CID 95873924) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)methyl]-2-[(3S)-4-[(E)-3-phenylprop-2-enyl]morpholin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3-ethylimidazol-4-yl)methyl]-2-[(3S)-4-[(E)-3-phenylprop-2-enyl]morpholin-3-yl]acetamide
PubChem CID95873924
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-[(3-ethylimidazol-4-yl)methyl]-2-[(3S)-4-[(E)-3-phenylprop-2-enyl]morpholin-3-yl]acetamide
SMILESCCn1cncc1CNC(=O)C[C@H]1COCCN1C/C=C/c1ccccc1
InChIInChI=1S/C21H28N4O2/c1-2-24-17-22-14-20(24)15-23-21(26)13-19-16-27-12-11-25(19)10-6-9-18-7-4-3-5-8-18/h3-9,14,17,19H,2,10-13,15-16H2,1H3,(H,23,26)/b9-6+/t19-/m0/s1
InChIKeyIELRHGUSDKYDNX-AIADIJKESA-N
XLogP2.32
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3-ethylimidazol-4-yl)methyl]-2-[(3S)-4-[(E)-3-phenylprop-2-enyl]morpholin-3-yl]acetamide 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-[(3-ethylimidazol-4-yl)methyl]-2-[(3S)-4-[(E)-3-phenylprop-2-enyl]morpholin-3-yl]acetamide?
The IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-2-[(3S)-4-[(E)-3-phenylprop-2-enyl]morpholin-3-yl]acetamide (CID 95873924) is N-[(3-ethylimidazol-4-yl)methyl]-2-[(3S)-4-[(E)-3-phenylprop-2-enyl]morpholin-3-yl]acetamide.
What is the SMILES notation for N-[(3-ethylimidazol-4-yl)methyl]-2-[(3S)-4-[(E)-3-phenylprop-2-enyl]morpholin-3-yl]acetamide?
The canonical SMILES for N-[(3-ethylimidazol-4-yl)methyl]-2-[(3S)-4-[(E)-3-phenylprop-2-enyl]morpholin-3-yl]acetamide is CCn1cncc1CNC(=O)C[C@H]1COCCN1C/C=C/c1ccccc1.
What is the InChIKey of N-[(3-ethylimidazol-4-yl)methyl]-2-[(3S)-4-[(E)-3-phenylprop-2-enyl]morpholin-3-yl]acetamide?
The InChIKey is IELRHGUSDKYDNX-AIADIJKESA-N. The full InChI is InChI=1S/C21H28N4O2/c1-2-24-17-22-14-20(24)15-23-21(26)13-19-16-27-12-11-25(19)10-6-9-18-7-4-3-5-8-18/h3-9,14,17,19H,2,10-13,15-16H2,1H3,(H,23,26)/b9-6+/t19-/m0/s1.
What are the key properties of N-[(3-ethylimidazol-4-yl)methyl]-2-[(3S)-4-[(E)-3-phenylprop-2-enyl]morpholin-3-yl]acetamide?
N-[(3-ethylimidazol-4-yl)methyl]-2-[(3S)-4-[(E)-3-phenylprop-2-enyl]morpholin-3-yl]acetamide has a molecular weight of 368.48 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylimidazol-4-yl)methyl]-2-[(3S)-4-[(E)-3-phenylprop-2-enyl]morpholin-3-yl]acetamide is sourced from PubChem (CID 95873924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).