4-amino-N-[1-(4-methylphenyl)ethyl]-1-propylpyrrole-2-carboxamide

C17H23N3O — CID 61103337

IUPAC4-amino-N-[1-(4-methylphenyl)ethyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NC(C)c1ccc(C)cc1
InChIInChI=1S/C17H23N3O/c1-4-9-20-11-15(18)10-16(20)17(21)19-13(3)14-7-5-12(2)6-8-14/h5-8,10-11,13H,4,9,18H2,1-3H3,(H,19,21)
InChIKeyVFQCGKHQQXJYRC-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.28
Rot. Bonds5

About 4-amino-N-[1-(4-methylphenyl)ethyl]-1-propylpyrrole-2-carboxamide

4-amino-N-[1-(4-methylphenyl)ethyl]-1-propylpyrrole-2-carboxamide (PubChem CID 61103337) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-amino-N-[1-(4-methylphenyl)ethyl]-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(4-methylphenyl)ethyl]-1-propylpyrrole-2-carboxamide
PubChem CID61103337
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-amino-N-[1-(4-methylphenyl)ethyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NC(C)c1ccc(C)cc1
InChIInChI=1S/C17H23N3O/c1-4-9-20-11-15(18)10-16(20)17(21)19-13(3)14-7-5-12(2)6-8-14/h5-8,10-11,13H,4,9,18H2,1-3H3,(H,19,21)
InChIKeyVFQCGKHQQXJYRC-UHFFFAOYSA-N
XLogP3.28
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-ethyl-N-[1-(4-methoxyphenyl)ethyl]pyrrole-2-carboxamide
CID 66197374
4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-propylpyrrole-2-carboxamide
CID 106152436
4-bromo-N-[(1S)-1-phenylethyl]-1-propylpyrrole-2-carboxamide
CID 107864120
4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1-propylpyrrole-2-carboxamide
CID 61476569
4-amino-N-(1-cyclohexylethyl)-1-propylpyrrole-2-carboxamide
CID 62403049
4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-1-propylpyrrole-2-carboxamide
CID 106180191
4-amino-N-[2-(dimethylamino)propyl]-1-propylpyrrole-2-carboxamide
CID 61139515
4-amino-N-[2-(carbamoylamino)ethyl]-1-propylpyrrole-2-carboxamide
CID 83107929
4-amino-1-ethyl-N-(4-methylphenyl)pyrrole-2-carboxamide
CID 43642219
4-amino-N-(5-hydroxy-4-methylpentyl)-1-propylpyrrole-2-carboxamide
CID 106152159
4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-1-propylpyrrole-2-carboxamide
CID 61103364
4-amino-N-(2-methylsulfanylphenyl)-1-propylpyrrole-2-carboxamide
CID 61116942

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(4-methylphenyl)ethyl]-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[1-(4-methylphenyl)ethyl]-1-propylpyrrole-2-carboxamide (CID 61103337) is 4-amino-N-[1-(4-methylphenyl)ethyl]-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(4-methylphenyl)ethyl]-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[1-(4-methylphenyl)ethyl]-1-propylpyrrole-2-carboxamide is CCCn1cc(N)cc1C(=O)NC(C)c1ccc(C)cc1.
What is the InChIKey of 4-amino-N-[1-(4-methylphenyl)ethyl]-1-propylpyrrole-2-carboxamide?
The InChIKey is VFQCGKHQQXJYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-9-20-11-15(18)10-16(20)17(21)19-13(3)14-7-5-12(2)6-8-14/h5-8,10-11,13H,4,9,18H2,1-3H3,(H,19,21).
What are the key properties of 4-amino-N-[1-(4-methylphenyl)ethyl]-1-propylpyrrole-2-carboxamide?
4-amino-N-[1-(4-methylphenyl)ethyl]-1-propylpyrrole-2-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(4-methylphenyl)ethyl]-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 61103337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).