4-amino-1-ethyl-N-[2-(3-methoxyphenyl)ethyl]pyrrole-2-carboxamide

C16H21N3O2 — CID 107843317

IUPAC4-amino-1-ethyl-N-[2-(3-methoxyphenyl)ethyl]pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)NCCc1cccc(OC)c1
InChIInChI=1S/C16H21N3O2/c1-3-19-11-13(17)10-15(19)16(20)18-8-7-12-5-4-6-14(9-12)21-2/h4-6,9-11H,3,7-8,17H2,1-2H3,(H,18,20)
InChIKeyRSUOYHNDWFIESJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.07
Rot. Bonds6

About 4-amino-1-ethyl-N-[2-(3-methoxyphenyl)ethyl]pyrrole-2-carboxamide

4-amino-1-ethyl-N-[2-(3-methoxyphenyl)ethyl]pyrrole-2-carboxamide (PubChem CID 107843317) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-[2-(3-methoxyphenyl)ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-[2-(3-methoxyphenyl)ethyl]pyrrole-2-carboxamide
PubChem CID107843317
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-amino-1-ethyl-N-[2-(3-methoxyphenyl)ethyl]pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)NCCc1cccc(OC)c1
InChIInChI=1S/C16H21N3O2/c1-3-19-11-13(17)10-15(19)16(20)18-8-7-12-5-4-6-14(9-12)21-2/h4-6,9-11H,3,7-8,17H2,1-2H3,(H,18,20)
InChIKeyRSUOYHNDWFIESJ-UHFFFAOYSA-N
XLogP2.07
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-ethyl-N-[(3-methoxyphenyl)methyl]pyrrole-2-carboxamide
CID 61028915
4-amino-N-[2-(3-chlorophenyl)ethyl]-1-ethylpyrrole-2-carboxamide
CID 61111186
4-amino-1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrrole-2-carboxamide
CID 43642709
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
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CID 107980616
4-(aminomethyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 103794996
2-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]butanamide
CID 115186724
N-[2-(3-methoxyphenyl)ethyl]-1-methylindole-2-carboxamide
CID 113207074
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352
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CID 47041893

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-[2-(3-methoxyphenyl)ethyl]pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-[2-(3-methoxyphenyl)ethyl]pyrrole-2-carboxamide (CID 107843317) is 4-amino-1-ethyl-N-[2-(3-methoxyphenyl)ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-[2-(3-methoxyphenyl)ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-[2-(3-methoxyphenyl)ethyl]pyrrole-2-carboxamide is CCn1cc(N)cc1C(=O)NCCc1cccc(OC)c1.
What is the InChIKey of 4-amino-1-ethyl-N-[2-(3-methoxyphenyl)ethyl]pyrrole-2-carboxamide?
The InChIKey is RSUOYHNDWFIESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-19-11-13(17)10-15(19)16(20)18-8-7-12-5-4-6-14(9-12)21-2/h4-6,9-11H,3,7-8,17H2,1-2H3,(H,18,20).
What are the key properties of 4-amino-1-ethyl-N-[2-(3-methoxyphenyl)ethyl]pyrrole-2-carboxamide?
4-amino-1-ethyl-N-[2-(3-methoxyphenyl)ethyl]pyrrole-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-[2-(3-methoxyphenyl)ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 107843317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).