4-amino-N-butyl-1-ethyl-N-phenylpyrrole-2-carboxamide

C17H23N3O — CID 64586919

IUPAC4-amino-N-butyl-1-ethyl-N-phenylpyrrole-2-carboxamide
SMILESCCCCN(C(=O)c1cc(N)cn1CC)c1ccccc1
InChIInChI=1S/C17H23N3O/c1-3-5-11-20(15-9-7-6-8-10-15)17(21)16-12-14(18)13-19(16)4-2/h6-10,12-13H,3-5,11,18H2,1-2H3
InChIKeyBTIMODOVWSTWEA-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.54
Rot. Bonds6

About 4-amino-N-butyl-1-ethyl-N-phenylpyrrole-2-carboxamide

4-amino-N-butyl-1-ethyl-N-phenylpyrrole-2-carboxamide (PubChem CID 64586919) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-amino-N-butyl-1-ethyl-N-phenylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-butyl-1-ethyl-N-phenylpyrrole-2-carboxamide
PubChem CID64586919
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-amino-N-butyl-1-ethyl-N-phenylpyrrole-2-carboxamide
SMILESCCCCN(C(=O)c1cc(N)cn1CC)c1ccccc1
InChIInChI=1S/C17H23N3O/c1-3-5-11-20(15-9-7-6-8-10-15)17(21)16-12-14(18)13-19(16)4-2/h6-10,12-13H,3-5,11,18H2,1-2H3
InChIKeyBTIMODOVWSTWEA-UHFFFAOYSA-N
XLogP3.54
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-ethyl-N-methyl-N-phenylpyrrole-2-carboxamide
CID 43641988
4-amino-N-butyl-N-cyclopropyl-1-ethylpyrrole-2-carboxamide
CID 61107485
4-amino-N-butyl-N-phenylpyridine-2-carboxamide
CID 64586979
4-amino-N-butyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 61107524
4-amino-1-ethyl-N-methyl-N-propylpyrrole-2-carboxamide
CID 43643448
4-amino-N-benzyl-1-ethyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide
CID 61105047
5-amino-N-butyl-2-fluoro-N-phenylbenzamide
CID 62056959
4-amino-N-butyl-1-methyl-N-phenylpyrazole-3-carboxamide
CID 65355446
2-amino-4-bromo-N-butyl-N-phenylbenzamide
CID 79705607
2-(4-aminophenyl)-N-butyl-N-phenylacetamide;hydrochloride
CID 119679254
4-amino-1-ethyl-N,N-bis(3-methylbutyl)pyrrole-2-carboxamide
CID 61106069
3-bromo-N-butyl-N-phenylbenzamide
CID 17256559

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butyl-1-ethyl-N-phenylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-butyl-1-ethyl-N-phenylpyrrole-2-carboxamide (CID 64586919) is 4-amino-N-butyl-1-ethyl-N-phenylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-butyl-1-ethyl-N-phenylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-butyl-1-ethyl-N-phenylpyrrole-2-carboxamide is CCCCN(C(=O)c1cc(N)cn1CC)c1ccccc1.
What is the InChIKey of 4-amino-N-butyl-1-ethyl-N-phenylpyrrole-2-carboxamide?
The InChIKey is BTIMODOVWSTWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-5-11-20(15-9-7-6-8-10-15)17(21)16-12-14(18)13-19(16)4-2/h6-10,12-13H,3-5,11,18H2,1-2H3.
What are the key properties of 4-amino-N-butyl-1-ethyl-N-phenylpyrrole-2-carboxamide?
4-amino-N-butyl-1-ethyl-N-phenylpyrrole-2-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyl-1-ethyl-N-phenylpyrrole-2-carboxamide is sourced from PubChem (CID 64586919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).