4-amino-1-ethyl-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrrole-2-carboxamide

C14H25N3O2 — CID 106249305

IUPAC4-amino-1-ethyl-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)NCC(CC)(CC)CO
InChIInChI=1S/C14H25N3O2/c1-4-14(5-2,10-18)9-16-13(19)12-7-11(15)8-17(12)6-3/h7-8,18H,4-6,9-10,15H2,1-3H3,(H,16,19)
InChIKeyCLBVZPLBKFFYKP-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.62
Rot. Bonds7

About 4-amino-1-ethyl-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrrole-2-carboxamide

4-amino-1-ethyl-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrrole-2-carboxamide (PubChem CID 106249305) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrrole-2-carboxamide
PubChem CID106249305
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name4-amino-1-ethyl-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)NCC(CC)(CC)CO
InChIInChI=1S/C14H25N3O2/c1-4-14(5-2,10-18)9-16-13(19)12-7-11(15)8-17(12)6-3/h7-8,18H,4-6,9-10,15H2,1-3H3,(H,16,19)
InChIKeyCLBVZPLBKFFYKP-UHFFFAOYSA-N
XLogP1.62
TPSA80.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-ethyl-N-(2-methyl-2-methylsulfanylpropyl)pyrrole-2-carboxamide
CID 113478489
4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethylpyrrole-2-carboxamide
CID 43642758
4-amino-1-ethyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide
CID 63228692
4-amino-1-ethyl-N-(2-methylbutan-2-yl)pyrrole-2-carboxamide
CID 43641881
4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide
CID 114614959
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-1-ethyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrole-2-carboxamide
CID 80526910
4-amino-1-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrole-2-carboxamide
CID 106425287
4-amino-1-ethyl-N-(2-methylsulfinylpropyl)pyrrole-2-carboxamide
CID 113483947
4-amino-N-[(4-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide
CID 60779952
4-amino-1-ethyl-N-(2-hydroxy-4-methylpentyl)pyrrole-2-carboxamide
CID 107150585

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrrole-2-carboxamide (CID 106249305) is 4-amino-1-ethyl-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrrole-2-carboxamide is CCn1cc(N)cc1C(=O)NCC(CC)(CC)CO.
What is the InChIKey of 4-amino-1-ethyl-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrrole-2-carboxamide?
The InChIKey is CLBVZPLBKFFYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-14(5-2,10-18)9-16-13(19)12-7-11(15)8-17(12)6-3/h7-8,18H,4-6,9-10,15H2,1-3H3,(H,16,19).
What are the key properties of 4-amino-1-ethyl-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrrole-2-carboxamide?
4-amino-1-ethyl-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrrole-2-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 1.62, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrrole-2-carboxamide is sourced from PubChem (CID 106249305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).