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

C15H27N3O — CID 66401184

IUPACN-pentan-2-yl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide
SMILESCCCNCc1cccn1CC(=O)NC(C)CCC
InChIInChI=1S/C15H27N3O/c1-4-7-13(3)17-15(19)12-18-10-6-8-14(18)11-16-9-5-2/h6,8,10,13,16H,4-5,7,9,11-12H2,1-3H3,(H,17,19)
InChIKeyUHHZXHQCJVJBTR-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.29
Rot. Bonds9

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

N-pentan-2-yl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide (PubChem CID 66401184) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-pentan-2-yl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-pentan-2-yl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide
PubChem CID66401184
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-pentan-2-yl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide
SMILESCCCNCc1cccn1CC(=O)NC(C)CCC
InChIInChI=1S/C15H27N3O/c1-4-7-13(3)17-15(19)12-18-10-6-8-14(18)11-16-9-5-2/h6,8,10,13,16H,4-5,7,9,11-12H2,1-3H3,(H,17,19)
InChIKeyUHHZXHQCJVJBTR-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-3-yl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide
CID 66402553
2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-pentan-2-ylacetamide
CID 66401026
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
N-cyclopropyl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide
CID 66401192
2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide
CID 66401085
2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-pentan-2-ylacetamide
CID 79102365
butyl 2-[2-(propylaminomethyl)pyrrol-1-yl]acetate
CID 66402177
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-pentan-2-ylacetamide
CID 47020753
2-[2-(hydroxymethyl)pyrrol-1-yl]-N-propan-2-ylacetamide
CID 66399323
2-[2-(methylaminomethyl)pyrrol-1-yl]-N-(3-methylbutyl)acetamide
CID 66402133
3-[(1-ethylpyrrol-2-yl)methylamino]-N-propylpropanamide
CID 66443625

Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide?
The IUPAC name of N-pentan-2-yl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide (CID 66401184) is N-pentan-2-yl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide.
What is the SMILES notation for N-pentan-2-yl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide?
The canonical SMILES for N-pentan-2-yl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide is CCCNCc1cccn1CC(=O)NC(C)CCC.
What is the InChIKey of N-pentan-2-yl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide?
The InChIKey is UHHZXHQCJVJBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-7-13(3)17-15(19)12-18-10-6-8-14(18)11-16-9-5-2/h6,8,10,13,16H,4-5,7,9,11-12H2,1-3H3,(H,17,19).
What are the key properties of N-pentan-2-yl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide?
N-pentan-2-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-2-yl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide is sourced from PubChem (CID 66401184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).