N-(1-methoxypropan-2-yl)-2-[3-[2-methyl-1-(methylamino)propyl]pyrrol-1-yl]acetamide

C15H27N3O2 — CID 79097898

IUPACN-(1-methoxypropan-2-yl)-2-[3-[2-methyl-1-(methylamino)propyl]pyrrol-1-yl]acetamide
SMILESCNC(c1ccn(CC(=O)NC(C)COC)c1)C(C)C
InChIInChI=1S/C15H27N3O2/c1-11(2)15(16-4)13-6-7-18(8-13)9-14(19)17-12(3)10-20-5/h6-8,11-12,15-16H,9-10H2,1-5H3,(H,17,19)
InChIKeyJVPUPIVCILMZHS-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.56
Rot. Bonds8

About N-(1-methoxypropan-2-yl)-2-[3-[2-methyl-1-(methylamino)propyl]pyrrol-1-yl]acetamide

N-(1-methoxypropan-2-yl)-2-[3-[2-methyl-1-(methylamino)propyl]pyrrol-1-yl]acetamide (PubChem CID 79097898) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2-[3-[2-methyl-1-(methylamino)propyl]pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2-[3-[2-methyl-1-(methylamino)propyl]pyrrol-1-yl]acetamide
PubChem CID79097898
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-(1-methoxypropan-2-yl)-2-[3-[2-methyl-1-(methylamino)propyl]pyrrol-1-yl]acetamide
SMILESCNC(c1ccn(CC(=O)NC(C)COC)c1)C(C)C
InChIInChI=1S/C15H27N3O2/c1-11(2)15(16-4)13-6-7-18(8-13)9-14(19)17-12(3)10-20-5/h6-8,11-12,15-16H,9-10H2,1-5H3,(H,17,19)
InChIKeyJVPUPIVCILMZHS-UHFFFAOYSA-N
XLogP1.56
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methoxypropan-2-yl)-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide
CID 79109807
1-[1-(4-methoxybutyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine
CID 113437043
N-butan-2-yl-2-[3-[2-methyl-1-(propylamino)propyl]pyrrol-1-yl]acetamide
CID 79108845
1-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine
CID 103411322
2-[3-[1-(methylamino)butyl]pyrrol-1-yl]-N-pentan-2-ylacetamide
CID 79109116
2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-(1-methoxypropan-2-yl)acetamide
CID 46799043
N,2-dimethyl-1-[1-(2-propan-2-yloxyethyl)pyrrol-3-yl]propan-1-amine
CID 79097308
2-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]-N-(2-methoxyethyl)acetamide
CID 79097953
N-(1-methoxypropan-2-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 51174931
2-[4-(hydroxymethyl)imidazol-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 106717295
N,2-dimethyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine
CID 79097299
N-(2-methoxyethyl)-2-[3-[1-(methylamino)butyl]pyrrol-1-yl]acetamide
CID 79107959

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2-[3-[2-methyl-1-(methylamino)propyl]pyrrol-1-yl]acetamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-2-[3-[2-methyl-1-(methylamino)propyl]pyrrol-1-yl]acetamide (CID 79097898) is N-(1-methoxypropan-2-yl)-2-[3-[2-methyl-1-(methylamino)propyl]pyrrol-1-yl]acetamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2-[3-[2-methyl-1-(methylamino)propyl]pyrrol-1-yl]acetamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2-[3-[2-methyl-1-(methylamino)propyl]pyrrol-1-yl]acetamide is CNC(c1ccn(CC(=O)NC(C)COC)c1)C(C)C.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2-[3-[2-methyl-1-(methylamino)propyl]pyrrol-1-yl]acetamide?
The InChIKey is JVPUPIVCILMZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-11(2)15(16-4)13-6-7-18(8-13)9-14(19)17-12(3)10-20-5/h6-8,11-12,15-16H,9-10H2,1-5H3,(H,17,19).
What are the key properties of N-(1-methoxypropan-2-yl)-2-[3-[2-methyl-1-(methylamino)propyl]pyrrol-1-yl]acetamide?
N-(1-methoxypropan-2-yl)-2-[3-[2-methyl-1-(methylamino)propyl]pyrrol-1-yl]acetamide has a molecular weight of 281.40 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-2-[3-[2-methyl-1-(methylamino)propyl]pyrrol-1-yl]acetamide is sourced from PubChem (CID 79097898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).