4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-propylpyrrole-2-carboxamide

C14H26N4O2 — CID 106139513

IUPAC4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NCC(C)(O)CN(C)C
InChIInChI=1S/C14H26N4O2/c1-5-6-18-8-11(15)7-12(18)13(19)16-9-14(2,20)10-17(3)4/h7-8,20H,5-6,9-10,15H2,1-4H3,(H,16,19)
InChIKeyUUFCVWYUAPUOQH-UHFFFAOYSA-N
MW282.39 g/mol
LogP0.52
Rot. Bonds7

About 4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-propylpyrrole-2-carboxamide

4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-propylpyrrole-2-carboxamide (PubChem CID 106139513) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-propylpyrrole-2-carboxamide
PubChem CID106139513
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NCC(C)(O)CN(C)C
InChIInChI=1S/C14H26N4O2/c1-5-6-18-8-11(15)7-12(18)13(19)16-9-14(2,20)10-17(3)4/h7-8,20H,5-6,9-10,15H2,1-4H3,(H,16,19)
InChIKeyUUFCVWYUAPUOQH-UHFFFAOYSA-N
XLogP0.52
TPSA83.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(2-hydroxy-2-methylpentyl)-1-propylpyrrole-2-carboxamide
CID 106289281
4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethylpyrrole-2-carboxamide
CID 43642758
4-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-propylpyrrole-2-carboxamide
CID 79385261
4-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-ethylpyrrole-2-carboxamide
CID 106143135
4-amino-N-[2-(dimethylamino)propyl]-1-propylpyrrole-2-carboxamide
CID 61139515
4-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1-propylpyrrole-2-carboxamide
CID 106179940
4-amino-N-[2-(carbamoylamino)ethyl]-1-propylpyrrole-2-carboxamide
CID 83107929
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-ethyl-4-nitropyrrole-2-carboxamide
CID 106143234
4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylpyrrole-2-carboxamide
CID 103839927
3,5-diamino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 106139483
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylpyrrole-2-carboxamide
CID 113322191
2-(5-amino-2-oxo-1-pyridinyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide
CID 106139601

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-propylpyrrole-2-carboxamide (CID 106139513) is 4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-propylpyrrole-2-carboxamide is CCCn1cc(N)cc1C(=O)NCC(C)(O)CN(C)C.
What is the InChIKey of 4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-propylpyrrole-2-carboxamide?
The InChIKey is UUFCVWYUAPUOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-5-6-18-8-11(15)7-12(18)13(19)16-9-14(2,20)10-17(3)4/h7-8,20H,5-6,9-10,15H2,1-4H3,(H,16,19).
What are the key properties of 4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-propylpyrrole-2-carboxamide?
4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-propylpyrrole-2-carboxamide has a molecular weight of 282.39 g/mol, XLogP of 0.52, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 106139513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).