4-(propan-2-ylamino)-N-pyrrol-1-ylbutanamide

C11H19N3O — CID 79101182

IUPAC4-(propan-2-ylamino)-N-pyrrol-1-ylbutanamide
SMILESCC(C)NCCCC(=O)Nn1cccc1
InChIInChI=1S/C11H19N3O/c1-10(2)12-7-5-6-11(15)13-14-8-3-4-9-14/h3-4,8-10,12H,5-7H2,1-2H3,(H,13,15)
InChIKeyRRWGLNOUMAMGFJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.34
Rot. Bonds6

About 4-(propan-2-ylamino)-N-pyrrol-1-ylbutanamide

4-(propan-2-ylamino)-N-pyrrol-1-ylbutanamide (PubChem CID 79101182) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-(propan-2-ylamino)-N-pyrrol-1-ylbutanamide.

Molecular Properties

Compound Name4-(propan-2-ylamino)-N-pyrrol-1-ylbutanamide
PubChem CID79101182
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-(propan-2-ylamino)-N-pyrrol-1-ylbutanamide
SMILESCC(C)NCCCC(=O)Nn1cccc1
InChIInChI=1S/C11H19N3O/c1-10(2)12-7-5-6-11(15)13-14-8-3-4-9-14/h3-4,8-10,12H,5-7H2,1-2H3,(H,13,15)
InChIKeyRRWGLNOUMAMGFJ-UHFFFAOYSA-N
XLogP1.34
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(methylamino)-N-pyrrol-1-ylbutanamide
CID 79100656
2-(propan-2-ylamino)-N-pyrrol-1-ylacetamide
CID 79101494
N-methyl-4-(propan-2-ylamino)butanamide
CID 21054795
N-[(1-methylpyrrol-2-yl)methyl]-4-(propan-2-ylamino)butanamide
CID 114186109
4-(propan-2-ylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
CID 61274404
N-[(1R)-1-(2-fluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide
CID 81380845
N-[(1-methylpyrrol-3-yl)methyl]-4-(propan-2-ylamino)butanamide
CID 114182663
N-[2-(N-methylanilino)ethyl]-4-(propan-2-ylamino)butanamide
CID 61259926
N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide
CID 60850925
3-(propan-2-ylamino)-1-pyrrol-1-ylpropan-1-one
CID 176777495
N-[4-(propanoylamino)phenyl]-4-(propan-2-ylamino)butanamide
CID 60850102
N-[2-(hydroxymethyl)phenyl]-4-(propan-2-ylamino)butanamide
CID 60850282

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylamino)-N-pyrrol-1-ylbutanamide?
The IUPAC name of 4-(propan-2-ylamino)-N-pyrrol-1-ylbutanamide (CID 79101182) is 4-(propan-2-ylamino)-N-pyrrol-1-ylbutanamide.
What is the SMILES notation for 4-(propan-2-ylamino)-N-pyrrol-1-ylbutanamide?
The canonical SMILES for 4-(propan-2-ylamino)-N-pyrrol-1-ylbutanamide is CC(C)NCCCC(=O)Nn1cccc1.
What is the InChIKey of 4-(propan-2-ylamino)-N-pyrrol-1-ylbutanamide?
The InChIKey is RRWGLNOUMAMGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-10(2)12-7-5-6-11(15)13-14-8-3-4-9-14/h3-4,8-10,12H,5-7H2,1-2H3,(H,13,15).
What are the key properties of 4-(propan-2-ylamino)-N-pyrrol-1-ylbutanamide?
4-(propan-2-ylamino)-N-pyrrol-1-ylbutanamide has a molecular weight of 209.29 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylamino)-N-pyrrol-1-ylbutanamide is sourced from PubChem (CID 79101182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).