N-[2-(4-methoxyphenoxy)ethyl]-1H-pyrrole-2-carboxamide

C14H16N2O3 — CID 110691003

IUPACN-[2-(4-methoxyphenoxy)ethyl]-1H-pyrrole-2-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2ccc[nH]2)cc1
InChIInChI=1S/C14H16N2O3/c1-18-11-4-6-12(7-5-11)19-10-9-16-14(17)13-3-2-8-15-13/h2-8,15H,9-10H2,1H3,(H,16,17)
InChIKeyPPIMRIVHEFHBEZ-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.83
Rot. Bonds6

About N-[2-(4-methoxyphenoxy)ethyl]-1H-pyrrole-2-carboxamide

N-[2-(4-methoxyphenoxy)ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 110691003) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-1H-pyrrole-2-carboxamide
PubChem CID110691003
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-1H-pyrrole-2-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2ccc[nH]2)cc1
InChIInChI=1S/C14H16N2O3/c1-18-11-4-6-12(7-5-11)19-10-9-16-14(17)13-3-2-8-15-13/h2-8,15H,9-10H2,1H3,(H,16,17)
InChIKeyPPIMRIVHEFHBEZ-UHFFFAOYSA-N
XLogP1.83
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(4-methoxyphenoxy)ethyl]-1H-pyrrole-2-carboxamide 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

4-iodo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 2222983
4-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 2292601
N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 27173434
3-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 27173443
2,4,5-trimethoxy-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 8934968
3-[2-(4-methoxyphenoxy)ethylcarbamoyl]pyrazine-2-carboxylate
CID 7189406
6-methoxy-N-(2-phenoxyethyl)naphthalene-2-carboxamide
CID 5302937
3-(4-methoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 3810296
N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanamide
CID 94421928
methyl 3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropanoate
CID 84578757
2-(4-methoxyphenoxy)-N-(2-phenoxyethyl)acetamide
CID 2265793
N-[2-(4-methoxyphenoxy)ethyl]-2-phenoxyacetamide
CID 17468348

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-1H-pyrrole-2-carboxamide (CID 110691003) is N-[2-(4-methoxyphenoxy)ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-1H-pyrrole-2-carboxamide is COc1ccc(OCCNC(=O)c2ccc[nH]2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is PPIMRIVHEFHBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-18-11-4-6-12(7-5-11)19-10-9-16-14(17)13-3-2-8-15-13/h2-8,15H,9-10H2,1H3,(H,16,17).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-1H-pyrrole-2-carboxamide?
N-[2-(4-methoxyphenoxy)ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 110691003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).