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

C17H23N3O — CID 66405734

IUPACN-benzyl-2-[3-(propylaminomethyl)pyrrol-1-yl]acetamide
SMILESCCCNCc1ccn(CC(=O)NCc2ccccc2)c1
InChIInChI=1S/C17H23N3O/c1-2-9-18-11-16-8-10-20(13-16)14-17(21)19-12-15-6-4-3-5-7-15/h3-8,10,13,18H,2,9,11-12,14H2,1H3,(H,19,21)
InChIKeyLSNXTSQGPYBMEN-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.30
Rot. Bonds8

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

N-benzyl-2-[3-(propylaminomethyl)pyrrol-1-yl]acetamide (PubChem CID 66405734) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-benzyl-2-[3-(propylaminomethyl)pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[3-(propylaminomethyl)pyrrol-1-yl]acetamide
PubChem CID66405734
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-benzyl-2-[3-(propylaminomethyl)pyrrol-1-yl]acetamide
SMILESCCCNCc1ccn(CC(=O)NCc2ccccc2)c1
InChIInChI=1S/C17H23N3O/c1-2-9-18-11-16-8-10-20(13-16)14-17(21)19-12-15-6-4-3-5-7-15/h3-8,10,13,18H,2,9,11-12,14H2,1H3,(H,19,21)
InChIKeyLSNXTSQGPYBMEN-UHFFFAOYSA-N
XLogP2.30
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.30
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-ethyl-2-[3-[(2-methoxyethylamino)methyl]pyrrol-1-yl]acetamide
CID 66406838
2-[3-(aminomethyl)pyrrol-1-yl]-N-propylacetamide
CID 66407532
N-[[1-(phenylmethoxymethyl)pyrrol-3-yl]methyl]propan-1-amine
CID 102940118
N'-benzyl-N-propylpropanediamide
CID 108940601
1-(4-methylpiperazin-1-yl)-2-[3-(propylaminomethyl)pyrrol-1-yl]ethanone
CID 66404328
4-[(1-ethylpyrrol-3-yl)methylamino]butanoic acid
CID 66413985
N-benzylpropan-1-amine;ethane;propane
CID 145164103
N-benzylpropan-1-amine;nitromethane
CID 90801656
N-[[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 66404531
2-[(1-ethylpyrrol-3-yl)methylamino]ethylurea
CID 83109384
N-benzyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66402920
N-cyclopropyl-2-[3-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66406741

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-(propylaminomethyl)pyrrol-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[3-(propylaminomethyl)pyrrol-1-yl]acetamide (CID 66405734) is N-benzyl-2-[3-(propylaminomethyl)pyrrol-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[3-(propylaminomethyl)pyrrol-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[3-(propylaminomethyl)pyrrol-1-yl]acetamide is CCCNCc1ccn(CC(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-2-[3-(propylaminomethyl)pyrrol-1-yl]acetamide?
The InChIKey is LSNXTSQGPYBMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-9-18-11-16-8-10-20(13-16)14-17(21)19-12-15-6-4-3-5-7-15/h3-8,10,13,18H,2,9,11-12,14H2,1H3,(H,19,21).
What are the key properties of N-benzyl-2-[3-(propylaminomethyl)pyrrol-1-yl]acetamide?
N-benzyl-2-[3-(propylaminomethyl)pyrrol-1-yl]acetamide has a molecular weight of 285.39 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-(propylaminomethyl)pyrrol-1-yl]acetamide is sourced from PubChem (CID 66405734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).