N-[2-(4-aminophenoxy)ethyl]-1-cyclopropylpyrrole-2-carboxamide

C16H19N3O2 — CID 63237978

IUPACN-[2-(4-aminophenoxy)ethyl]-1-cyclopropylpyrrole-2-carboxamide
SMILESNc1ccc(OCCNC(=O)c2cccn2C2CC2)cc1
InChIInChI=1S/C16H19N3O2/c17-12-3-7-14(8-4-12)21-11-9-18-16(20)15-2-1-10-19(15)13-5-6-13/h1-4,7-8,10,13H,5-6,9,11,17H2,(H,18,20)
InChIKeyCFGCWELSAGXETE-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.21
Rot. Bonds6

About N-[2-(4-aminophenoxy)ethyl]-1-cyclopropylpyrrole-2-carboxamide

N-[2-(4-aminophenoxy)ethyl]-1-cyclopropylpyrrole-2-carboxamide (PubChem CID 63237978) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[2-(4-aminophenoxy)ethyl]-1-cyclopropylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminophenoxy)ethyl]-1-cyclopropylpyrrole-2-carboxamide
PubChem CID63237978
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[2-(4-aminophenoxy)ethyl]-1-cyclopropylpyrrole-2-carboxamide
SMILESNc1ccc(OCCNC(=O)c2cccn2C2CC2)cc1
InChIInChI=1S/C16H19N3O2/c17-12-3-7-14(8-4-12)21-11-9-18-16(20)15-2-1-10-19(15)13-5-6-13/h1-4,7-8,10,13H,5-6,9,11,17H2,(H,18,20)
InChIKeyCFGCWELSAGXETE-UHFFFAOYSA-N
XLogP2.21
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide
CID 43639342
1-cyclopropyl-N-ethylpyrrole-2-carboxamide
CID 130688583
N-[2-(4-aminophenoxy)ethyl]benzamide
CID 14121577
N-(3-azidopropyl)-1-cyclopropylpyrrole-2-carboxamide
CID 61344717
N-(2-amino-2-methylpropyl)-1-cyclopropylpyrrole-2-carboxamide
CID 115303317
1-cyclobutyl-N-[2-(2-methoxyethylamino)ethyl]pyrrole-2-carboxamide
CID 114610635
1-cyclopropyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83058739
N-[2-(4-aminophenoxy)ethyl]-2,3-dihydroxybenzamide
CID 114343182
1-cyclobutyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
CID 104971656
tert-butyl 4-[2-[2-(2-methoxyphenoxy)ethylcarbamoyl]pyrrol-1-yl]piperidine-1-carboxylate
CID 56538766
N-[2-(4-aminophenoxy)ethyl]-2-cycloheptylacetamide
CID 114457049
N-[2-(4-aminophenoxy)ethyl]-3,5-dibromobenzamide
CID 107971002

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenoxy)ethyl]-1-cyclopropylpyrrole-2-carboxamide?
The IUPAC name of N-[2-(4-aminophenoxy)ethyl]-1-cyclopropylpyrrole-2-carboxamide (CID 63237978) is N-[2-(4-aminophenoxy)ethyl]-1-cyclopropylpyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(4-aminophenoxy)ethyl]-1-cyclopropylpyrrole-2-carboxamide?
The canonical SMILES for N-[2-(4-aminophenoxy)ethyl]-1-cyclopropylpyrrole-2-carboxamide is Nc1ccc(OCCNC(=O)c2cccn2C2CC2)cc1.
What is the InChIKey of N-[2-(4-aminophenoxy)ethyl]-1-cyclopropylpyrrole-2-carboxamide?
The InChIKey is CFGCWELSAGXETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c17-12-3-7-14(8-4-12)21-11-9-18-16(20)15-2-1-10-19(15)13-5-6-13/h1-4,7-8,10,13H,5-6,9,11,17H2,(H,18,20).
What are the key properties of N-[2-(4-aminophenoxy)ethyl]-1-cyclopropylpyrrole-2-carboxamide?
N-[2-(4-aminophenoxy)ethyl]-1-cyclopropylpyrrole-2-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenoxy)ethyl]-1-cyclopropylpyrrole-2-carboxamide is sourced from PubChem (CID 63237978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).