4-amino-1-ethyl-N,N-bis(3-methylbutyl)pyrrole-2-carboxamide

C17H31N3O — CID 61106069

IUPAC4-amino-1-ethyl-N,N-bis(3-methylbutyl)pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)N(CCC(C)C)CCC(C)C
InChIInChI=1S/C17H31N3O/c1-6-19-12-15(18)11-16(19)17(21)20(9-7-13(2)3)10-8-14(4)5/h11-14H,6-10,18H2,1-5H3
InChIKeyKVIJLFFRXBZNLK-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.62
Rot. Bonds8

About 4-amino-1-ethyl-N,N-bis(3-methylbutyl)pyrrole-2-carboxamide

4-amino-1-ethyl-N,N-bis(3-methylbutyl)pyrrole-2-carboxamide (PubChem CID 61106069) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is 4-amino-1-ethyl-N,N-bis(3-methylbutyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N,N-bis(3-methylbutyl)pyrrole-2-carboxamide
PubChem CID61106069
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name4-amino-1-ethyl-N,N-bis(3-methylbutyl)pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)N(CCC(C)C)CCC(C)C
InChIInChI=1S/C17H31N3O/c1-6-19-12-15(18)11-16(19)17(21)20(9-7-13(2)3)10-8-14(4)5/h11-14H,6-10,18H2,1-5H3
InChIKeyKVIJLFFRXBZNLK-UHFFFAOYSA-N
XLogP3.62
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-ethyl-N-methyl-N-propylpyrrole-2-carboxamide
CID 43643448
4-methylpentyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 61310258
4-amino-N-butyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 61107524
4-amino-1-ethyl-N-[(2R)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 93254371
4-amino-1-ethyl-N-(2-hydroxypropyl)pyrrole-2-carboxamide
CID 43643619
4-amino-N-benzyl-1-ethyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide
CID 61105047
2-methylpropyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 61309440
4-amino-1-ethyl-N-(2-hydroxy-4-methylpentyl)pyrrole-2-carboxamide
CID 107150585
2-ethyl-5-methyl-N,N-bis(3-methylbutyl)pyrazole-3-carboxamide
CID 60619942
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-1-ethyl-N-(2-methoxyethyl)-N-pentan-3-ylpyrrole-2-carboxamide
CID 61109037

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N,N-bis(3-methylbutyl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N,N-bis(3-methylbutyl)pyrrole-2-carboxamide (CID 61106069) is 4-amino-1-ethyl-N,N-bis(3-methylbutyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N,N-bis(3-methylbutyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N,N-bis(3-methylbutyl)pyrrole-2-carboxamide is CCn1cc(N)cc1C(=O)N(CCC(C)C)CCC(C)C.
What is the InChIKey of 4-amino-1-ethyl-N,N-bis(3-methylbutyl)pyrrole-2-carboxamide?
The InChIKey is KVIJLFFRXBZNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-6-19-12-15(18)11-16(19)17(21)20(9-7-13(2)3)10-8-14(4)5/h11-14H,6-10,18H2,1-5H3.
What are the key properties of 4-amino-1-ethyl-N,N-bis(3-methylbutyl)pyrrole-2-carboxamide?
4-amino-1-ethyl-N,N-bis(3-methylbutyl)pyrrole-2-carboxamide has a molecular weight of 293.46 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N,N-bis(3-methylbutyl)pyrrole-2-carboxamide is sourced from PubChem (CID 61106069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).