4-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-propylpyrrole-2-carboxamide

C13H23N3O2 — CID 79385261

IUPAC4-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)N(C)CC(C)(C)O
InChIInChI=1S/C13H23N3O2/c1-5-6-16-8-10(14)7-11(16)12(17)15(4)9-13(2,3)18/h7-8,18H,5-6,9,14H2,1-4H3
InChIKeyXYGFRTZKIDUENS-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.32
Rot. Bonds5

About 4-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-propylpyrrole-2-carboxamide

4-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-propylpyrrole-2-carboxamide (PubChem CID 79385261) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-propylpyrrole-2-carboxamide
PubChem CID79385261
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name4-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)N(C)CC(C)(C)O
InChIInChI=1S/C13H23N3O2/c1-5-6-16-8-10(14)7-11(16)12(17)15(4)9-13(2,3)18/h7-8,18H,5-6,9,14H2,1-4H3
InChIKeyXYGFRTZKIDUENS-UHFFFAOYSA-N
XLogP1.32
TPSA71.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-propylpyrrole-2-carboxamide
CID 79381001
4-amino-N-(5-hydroxypentyl)-N-methyl-1-propylpyrrole-2-carboxamide
CID 107197417
4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-propylpyrrole-2-carboxamide
CID 106139513
4-amino-N-methyl-N-[(2-methylphenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 43643888
4-amino-N-[(2-bromophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide
CID 61113889
4-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 61114885
4-amino-1-ethyl-N-methyl-N-propylpyrrole-2-carboxamide
CID 43643448
4-amino-N-methyl-1-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide
CID 43643682
4-amino-N-[(3-bromophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide
CID 61140816
4-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1-propylpyrrole-2-carboxamide
CID 106179940
4-amino-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide
CID 43643445
4-amino-N-methyl-1-propyl-N-pyridin-4-ylpyrrole-2-carboxamide
CID 106934249

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-propylpyrrole-2-carboxamide (CID 79385261) is 4-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-propylpyrrole-2-carboxamide is CCCn1cc(N)cc1C(=O)N(C)CC(C)(C)O.
What is the InChIKey of 4-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-propylpyrrole-2-carboxamide?
The InChIKey is XYGFRTZKIDUENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-5-6-16-8-10(14)7-11(16)12(17)15(4)9-13(2,3)18/h7-8,18H,5-6,9,14H2,1-4H3.
What are the key properties of 4-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-propylpyrrole-2-carboxamide?
4-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-propylpyrrole-2-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 79385261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).