4-amino-N-(2-ethyl-2-hydroxybutyl)-1-methylpyrrole-2-carboxamide

C12H21N3O2 — CID 65103767

IUPAC4-amino-N-(2-ethyl-2-hydroxybutyl)-1-methylpyrrole-2-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1cc(N)cn1C
InChIInChI=1S/C12H21N3O2/c1-4-12(17,5-2)8-14-11(16)10-6-9(13)7-15(10)3/h6-7,17H,4-5,8,13H2,1-3H3,(H,14,16)
InChIKeyVEHOUWZFCVSPEM-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.89
Rot. Bonds5

About 4-amino-N-(2-ethyl-2-hydroxybutyl)-1-methylpyrrole-2-carboxamide

4-amino-N-(2-ethyl-2-hydroxybutyl)-1-methylpyrrole-2-carboxamide (PubChem CID 65103767) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-amino-N-(2-ethyl-2-hydroxybutyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-ethyl-2-hydroxybutyl)-1-methylpyrrole-2-carboxamide
PubChem CID65103767
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name4-amino-N-(2-ethyl-2-hydroxybutyl)-1-methylpyrrole-2-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1cc(N)cn1C
InChIInChI=1S/C12H21N3O2/c1-4-12(17,5-2)8-14-11(16)10-6-9(13)7-15(10)3/h6-7,17H,4-5,8,13H2,1-3H3,(H,14,16)
InChIKeyVEHOUWZFCVSPEM-UHFFFAOYSA-N
XLogP0.89
TPSA80.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2,2-difluoro-3-hydroxypropyl)-1-methylpyrrole-2-carboxamide
CID 106164382
4-amino-N-(2,2-dichloroethyl)-1-methylpyrrole-2-carboxamide
CID 130551753
4-amino-1-methyl-N-octylpyrrole-2-carboxamide
CID 115565894
4-amino-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide
CID 43641937
4-amino-1-methyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide
CID 114614945
4-amino-N-(4-hydroxypentyl)-1-methylpyrrole-2-carboxamide
CID 106118881
4-amino-N-(2-hydroxy-2-methylpentyl)-1-propylpyrrole-2-carboxamide
CID 106289281
4,5-dichloro-N-(2-ethyl-2-hydroxybutyl)-1-methylpyrrole-2-carboxamide
CID 65112242
methyl 3-[(4-amino-1-methylpyrrole-2-carbonyl)amino]propanoate
CID 43665875
N-(2-amino-2-ethylbutyl)-4-chloro-1-methylpyrrole-2-carboxamide
CID 81484909
4-amino-N-[2-(diaminomethylideneamino)ethyl]-1-methylpyrrole-2-carboxamide
CID 85397824
4-amino-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide
CID 43642800

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-ethyl-2-hydroxybutyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(2-ethyl-2-hydroxybutyl)-1-methylpyrrole-2-carboxamide (CID 65103767) is 4-amino-N-(2-ethyl-2-hydroxybutyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-ethyl-2-hydroxybutyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-ethyl-2-hydroxybutyl)-1-methylpyrrole-2-carboxamide is CCC(O)(CC)CNC(=O)c1cc(N)cn1C.
What is the InChIKey of 4-amino-N-(2-ethyl-2-hydroxybutyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is VEHOUWZFCVSPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-12(17,5-2)8-14-11(16)10-6-9(13)7-15(10)3/h6-7,17H,4-5,8,13H2,1-3H3,(H,14,16).
What are the key properties of 4-amino-N-(2-ethyl-2-hydroxybutyl)-1-methylpyrrole-2-carboxamide?
4-amino-N-(2-ethyl-2-hydroxybutyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-ethyl-2-hydroxybutyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 65103767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).