N-[2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-phenylpropanamide

C24H33N3O2 — CID 99791237

IUPACN-[2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-phenylpropanamide
SMILESCCOc1cc(N2CCN(C(C)C)CC2)ccc1NC(=O)CCc1ccccc1
InChIInChI=1S/C24H33N3O2/c1-4-29-23-18-21(27-16-14-26(15-17-27)19(2)3)11-12-22(23)25-24(28)13-10-20-8-6-5-7-9-20/h5-9,11-12,18-19H,4,10,13-17H2,1-3H3,(H,25,28)
InChIKeyUNLHJBNAHKRKRL-UHFFFAOYSA-N
MW395.55 g/mol
LogP4.19
Rot. Bonds8

About N-[2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-phenylpropanamide

N-[2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-phenylpropanamide (PubChem CID 99791237) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-[2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-phenylpropanamide
PubChem CID99791237
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC NameN-[2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-phenylpropanamide
SMILESCCOc1cc(N2CCN(C(C)C)CC2)ccc1NC(=O)CCc1ccccc1
InChIInChI=1S/C24H33N3O2/c1-4-29-23-18-21(27-16-14-26(15-17-27)19(2)3)11-12-22(23)25-24(28)13-10-20-8-6-5-7-9-20/h5-9,11-12,18-19H,4,10,13-17H2,1-3H3,(H,25,28)
InChIKeyUNLHJBNAHKRKRL-UHFFFAOYSA-N
XLogP4.19
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-phenylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-ethoxyphenyl)-3-phenylpropanamide
CID 849126
methyl 3-(3-phenylpropanoylamino)-4-(4-propan-2-ylpiperazin-1-yl)benzoate
CID 50827696
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-phenylpropanamide
CID 18209443
4-[3-(2-ethoxy-4-methylanilino)-3-oxopropyl]benzoic acid
CID 119181144
N-(4,5-diethoxy-2-nitrophenyl)-3-phenylpropanamide
CID 86912979
4-[3-[4-(dimethylcarbamoyl)-2-ethoxyanilino]-3-oxopropyl]benzoic acid
CID 120551346
N-[2,5-diethoxy-4-(3-phenylpropanoylamino)phenyl]furan-2-carboxamide
CID 1441351
4-bromo-N-[2,5-diethoxy-4-(3-phenylpropanoylamino)phenyl]benzamide
CID 23800683
5-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(2-methylpropanoylamino)benzoic acid
CID 50781795
5-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-[[2-(4-methylphenyl)acetyl]amino]benzoic acid
CID 50782606
3-(4-ethylphenyl)-N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]propanamide
CID 110604577
N-(2-ethoxyphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126234412

Frequently Asked Questions

What is the IUPAC name of N-[2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-phenylpropanamide?
The IUPAC name of N-[2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-phenylpropanamide (CID 99791237) is N-[2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-phenylpropanamide is CCOc1cc(N2CCN(C(C)C)CC2)ccc1NC(=O)CCc1ccccc1.
What is the InChIKey of N-[2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-phenylpropanamide?
The InChIKey is UNLHJBNAHKRKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-4-29-23-18-21(27-16-14-26(15-17-27)19(2)3)11-12-22(23)25-24(28)13-10-20-8-6-5-7-9-20/h5-9,11-12,18-19H,4,10,13-17H2,1-3H3,(H,25,28).
What are the key properties of N-[2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-phenylpropanamide?
N-[2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-phenylpropanamide has a molecular weight of 395.55 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 99791237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).