4-amino-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide

C14H17N3O2 — CID 61114831

IUPAC4-amino-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide
SMILESCN(CCOc1ccccc1)C(=O)c1cc(N)c[nH]1
InChIInChI=1S/C14H17N3O2/c1-17(14(18)13-9-11(15)10-16-13)7-8-19-12-5-3-2-4-6-12/h2-6,9-10,16H,7-8,15H2,1H3
InChIKeyWYFPNPZJVQZSGV-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.75
Rot. Bonds5

About 4-amino-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide

4-amino-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide (PubChem CID 61114831) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide
PubChem CID61114831
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-amino-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide
SMILESCN(CCOc1ccccc1)C(=O)c1cc(N)c[nH]1
InChIInChI=1S/C14H17N3O2/c1-17(14(18)13-9-11(15)10-16-13)7-8-19-12-5-3-2-4-6-12/h2-6,9-10,16H,7-8,15H2,1H3
InChIKeyWYFPNPZJVQZSGV-UHFFFAOYSA-N
XLogP1.75
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide
CID 61139584
4-acetyl-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide
CID 24546550
4-amino-N-(3-methoxypropyl)-N-methyl-1H-pyrrole-2-carboxamide
CID 62984456
4-amino-N-(3-phenoxypropyl)-1H-pyrrole-2-carboxamide
CID 62378932
4-amino-2-chloro-N-methyl-N-(2-phenoxyethyl)benzamide
CID 61114074
3-amino-N-methyl-N-(3-phenoxypropyl)-1H-pyrazole-5-carboxamide
CID 64524057
3-amino-N-methyl-N-(2-phenoxyethyl)pyrazine-2-carboxamide
CID 18136300
4-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 61114285
N-methyl-N-(2-phenoxyethyl)thiophene-2-carboxamide
CID 60630814
4-fluoro-N-methyl-N-(2-phenoxyethyl)-1H-indole-2-carboxamide
CID 31401161
2-(4-aminophenoxy)ethyl-methylcarbamic acid
CID 67422693
4-chloro-N-methyl-N-[2-(2-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide
CID 18120198

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide (CID 61114831) is 4-amino-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide is CN(CCOc1ccccc1)C(=O)c1cc(N)c[nH]1.
What is the InChIKey of 4-amino-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is WYFPNPZJVQZSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-17(14(18)13-9-11(15)10-16-13)7-8-19-12-5-3-2-4-6-12/h2-6,9-10,16H,7-8,15H2,1H3.
What are the key properties of 4-amino-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide?
4-amino-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 61114831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).