N-pentan-3-yl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide

C15H27N3O — CID 66402553

IUPACN-pentan-3-yl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide
SMILESCCCNCc1cccn1CC(=O)NC(CC)CC
InChIInChI=1S/C15H27N3O/c1-4-9-16-11-14-8-7-10-18(14)12-15(19)17-13(5-2)6-3/h7-8,10,13,16H,4-6,9,11-12H2,1-3H3,(H,17,19)
InChIKeyGGBGHSIQNDYQLI-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.29
Rot. Bonds9

About N-pentan-3-yl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide

N-pentan-3-yl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide (PubChem CID 66402553) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-pentan-3-yl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-pentan-3-yl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide
PubChem CID66402553
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-pentan-3-yl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide
SMILESCCCNCc1cccn1CC(=O)NC(CC)CC
InChIInChI=1S/C15H27N3O/c1-4-9-16-11-14-8-7-10-18(14)12-15(19)17-13(5-2)6-3/h7-8,10,13,16H,4-6,9,11-12H2,1-3H3,(H,17,19)
InChIKeyGGBGHSIQNDYQLI-UHFFFAOYSA-N
XLogP2.29
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.29
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

N-pentan-2-yl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide
CID 66401184
N-cyclopropyl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide
CID 66401192
2-[2-(ethylaminomethyl)pyrrol-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 66402539
2-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]-N-propylacetamide
CID 66401260
2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide
CID 66401085
butyl 2-[2-(propylaminomethyl)pyrrol-1-yl]acetate
CID 66402177
2-(3-amino-2-oxo-1-pyridinyl)-N-pentan-3-ylacetamide
CID 62102777
3-[(1-ethylpyrrol-2-yl)methylamino]-N-propylpropanamide
CID 66443625
N-tert-butyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66401169
3-[2-(propylaminomethyl)pyrrol-1-yl]propan-1-ol
CID 66401970
N-(4-chlorophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66402546
N-(3-chlorophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66400972

Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide?
The IUPAC name of N-pentan-3-yl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide (CID 66402553) is N-pentan-3-yl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide.
What is the SMILES notation for N-pentan-3-yl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide?
The canonical SMILES for N-pentan-3-yl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide is CCCNCc1cccn1CC(=O)NC(CC)CC.
What is the InChIKey of N-pentan-3-yl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide?
The InChIKey is GGBGHSIQNDYQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-9-16-11-14-8-7-10-18(14)12-15(19)17-13(5-2)6-3/h7-8,10,13,16H,4-6,9,11-12H2,1-3H3,(H,17,19).
What are the key properties of N-pentan-3-yl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide?
N-pentan-3-yl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide has a molecular weight of 265.40 g/mol, XLogP of 2.29, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide is sourced from PubChem (CID 66402553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).