4-amino-1-ethyl-N-(2-methoxyethyl)-N-pentan-3-ylpyrrole-2-carboxamide

C15H27N3O2 — CID 61109037

IUPAC4-amino-1-ethyl-N-(2-methoxyethyl)-N-pentan-3-ylpyrrole-2-carboxamide
SMILESCCC(CC)N(CCOC)C(=O)c1cc(N)cn1CC
InChIInChI=1S/C15H27N3O2/c1-5-13(6-2)18(8-9-20-4)15(19)14-10-12(16)11-17(14)7-3/h10-11,13H,5-9,16H2,1-4H3
InChIKeyPDCFQYIOXSOQCA-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.37
Rot. Bonds8

About 4-amino-1-ethyl-N-(2-methoxyethyl)-N-pentan-3-ylpyrrole-2-carboxamide

4-amino-1-ethyl-N-(2-methoxyethyl)-N-pentan-3-ylpyrrole-2-carboxamide (PubChem CID 61109037) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-(2-methoxyethyl)-N-pentan-3-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-(2-methoxyethyl)-N-pentan-3-ylpyrrole-2-carboxamide
PubChem CID61109037
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name4-amino-1-ethyl-N-(2-methoxyethyl)-N-pentan-3-ylpyrrole-2-carboxamide
SMILESCCC(CC)N(CCOC)C(=O)c1cc(N)cn1CC
InChIInChI=1S/C15H27N3O2/c1-5-13(6-2)18(8-9-20-4)15(19)14-10-12(16)11-17(14)7-3/h10-11,13H,5-9,16H2,1-4H3
InChIKeyPDCFQYIOXSOQCA-UHFFFAOYSA-N
XLogP2.37
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-ethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 61110041
4-amino-1-ethyl-N-(3-methoxypropyl)-N-methylpyrrole-2-carboxamide
CID 62984457
4-amino-N-(2-methoxyethyl)-N-pentan-3-yl-1H-pyrrole-2-carboxamide
CID 61108846
4-amino-1-ethyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrole-2-carboxamide
CID 61106234
4-amino-1-ethyl-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 61113371
4-amino-1-ethyl-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylpyrazole-5-carboxamide
CID 66123490
4-amino-1-ethyl-N,N-bis(3-methylbutyl)pyrrole-2-carboxamide
CID 61106069
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
2-amino-5-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 61108278
4,5-dibromo-N-(2-methoxyethyl)-N-pentan-3-ylthiophene-2-carboxamide
CID 113222390
4-amino-1-cyclopropyl-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide
CID 61108907

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-(2-methoxyethyl)-N-pentan-3-ylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-(2-methoxyethyl)-N-pentan-3-ylpyrrole-2-carboxamide (CID 61109037) is 4-amino-1-ethyl-N-(2-methoxyethyl)-N-pentan-3-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-(2-methoxyethyl)-N-pentan-3-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-(2-methoxyethyl)-N-pentan-3-ylpyrrole-2-carboxamide is CCC(CC)N(CCOC)C(=O)c1cc(N)cn1CC.
What is the InChIKey of 4-amino-1-ethyl-N-(2-methoxyethyl)-N-pentan-3-ylpyrrole-2-carboxamide?
The InChIKey is PDCFQYIOXSOQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-5-13(6-2)18(8-9-20-4)15(19)14-10-12(16)11-17(14)7-3/h10-11,13H,5-9,16H2,1-4H3.
What are the key properties of 4-amino-1-ethyl-N-(2-methoxyethyl)-N-pentan-3-ylpyrrole-2-carboxamide?
4-amino-1-ethyl-N-(2-methoxyethyl)-N-pentan-3-ylpyrrole-2-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-(2-methoxyethyl)-N-pentan-3-ylpyrrole-2-carboxamide is sourced from PubChem (CID 61109037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).