N-(2-ethoxyphenyl)-3-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]propanamide

C20H26N4O3 — CID 91835997

IUPACN-(2-ethoxyphenyl)-3-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]propanamide
SMILESCCOc1ccccc1NC(=O)CCN1CCN(C(=O)c2ccc[nH]2)CC1
InChIInChI=1S/C20H26N4O3/c1-2-27-18-8-4-3-6-16(18)22-19(25)9-11-23-12-14-24(15-13-23)20(26)17-7-5-10-21-17/h3-8,10,21H,2,9,11-15H2,1H3,(H,22,25)
InChIKeyDDJJIUVJGZQBGA-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.20
Rot. Bonds7

About N-(2-ethoxyphenyl)-3-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]propanamide

N-(2-ethoxyphenyl)-3-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]propanamide (PubChem CID 91835997) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-3-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-3-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]propanamide
PubChem CID91835997
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-(2-ethoxyphenyl)-3-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]propanamide
SMILESCCOc1ccccc1NC(=O)CCN1CCN(C(=O)c2ccc[nH]2)CC1
InChIInChI=1S/C20H26N4O3/c1-2-27-18-8-4-3-6-16(18)22-19(25)9-11-23-12-14-24(15-13-23)20(26)17-7-5-10-21-17/h3-8,10,21H,2,9,11-15H2,1H3,(H,22,25)
InChIKeyDDJJIUVJGZQBGA-UHFFFAOYSA-N
XLogP2.20
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-ethoxyphenyl)-3-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]propanamide 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-(4-ethylpiperazin-1-yl)propanamide
CID 109017715
[2-(2-ethoxyanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8544424
3-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 35138374
N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469217
N-(2-ethoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34942442
ethyl 4-[3-(2-ethoxyanilino)-3-oxopropanoyl]piperazine-1-carboxylate
CID 108950350
ethyl 4-[3-(2-methylsulfanylanilino)-3-oxopropyl]piperazine-1-carboxylate
CID 24588656
3-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263917
N-(2-chlorophenyl)-3-[4-(2-ethoxyphenoxy)piperidin-1-yl]propanamide
CID 47532727
2-[4-(2-ethoxybenzoyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 87014558
N-(2-ethoxyphenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide
CID 90561867
3-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 37451220

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-3-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(2-ethoxyphenyl)-3-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]propanamide (CID 91835997) is N-(2-ethoxyphenyl)-3-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-3-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(2-ethoxyphenyl)-3-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]propanamide is CCOc1ccccc1NC(=O)CCN1CCN(C(=O)c2ccc[nH]2)CC1.
What is the InChIKey of N-(2-ethoxyphenyl)-3-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]propanamide?
The InChIKey is DDJJIUVJGZQBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-2-27-18-8-4-3-6-16(18)22-19(25)9-11-23-12-14-24(15-13-23)20(26)17-7-5-10-21-17/h3-8,10,21H,2,9,11-15H2,1H3,(H,22,25).
What are the key properties of N-(2-ethoxyphenyl)-3-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]propanamide?
N-(2-ethoxyphenyl)-3-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]propanamide has a molecular weight of 370.45 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-3-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 91835997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).