4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylpyrrole-2-carboxamide

C16H21N3O2 — CID 61109695

IUPAC4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylpyrrole-2-carboxamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)c1cc(N)cn1C
InChIInChI=1S/C16H21N3O2/c1-4-19(10-12-5-7-14(21-3)8-6-12)16(20)15-9-13(17)11-18(15)2/h5-9,11H,4,10,17H2,1-3H3
InChIKeyXWPHJUNDHVIESC-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.28
Rot. Bonds5

About 4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylpyrrole-2-carboxamide

4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylpyrrole-2-carboxamide (PubChem CID 61109695) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylpyrrole-2-carboxamide
PubChem CID61109695
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylpyrrole-2-carboxamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)c1cc(N)cn1C
InChIInChI=1S/C16H21N3O2/c1-4-19(10-12-5-7-14(21-3)8-6-12)16(20)15-9-13(17)11-18(15)2/h5-9,11H,4,10,17H2,1-3H3
InChIKeyXWPHJUNDHVIESC-UHFFFAOYSA-N
XLogP2.28
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 61109885
4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide
CID 65359823
4-amino-N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 54978696
N-ethyl-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 55594329
4-amino-N,N-dibutyl-1-methylpyrrole-2-carboxamide
CID 43643260
4-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 61115670
3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 64678742
2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 61266612
N-[(4-methoxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)-N-prop-2-enylpyrrole-2-carboxamide
CID 51123864
N-ethyl-3-fluoro-N-[(4-methoxyphenyl)methyl]-5-methylbenzamide
CID 75422754
2-bromo-N,N-bis[(4-methoxyphenyl)methyl]acetamide
CID 10904936
(2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 61163391

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylpyrrole-2-carboxamide (CID 61109695) is 4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylpyrrole-2-carboxamide is CCN(Cc1ccc(OC)cc1)C(=O)c1cc(N)cn1C.
What is the InChIKey of 4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is XWPHJUNDHVIESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-19(10-12-5-7-14(21-3)8-6-12)16(20)15-9-13(17)11-18(15)2/h5-9,11H,4,10,17H2,1-3H3.
What are the key properties of 4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylpyrrole-2-carboxamide?
4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 61109695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).