2-[2-(1-aminoethyl)pyrrol-1-yl]-N-benzylacetamide

C15H19N3O — CID 79101821

IUPAC2-[2-(1-aminoethyl)pyrrol-1-yl]-N-benzylacetamide
SMILESCC(N)c1cccn1CC(=O)NCc1ccccc1
InChIInChI=1S/C15H19N3O/c1-12(16)14-8-5-9-18(14)11-15(19)17-10-13-6-3-2-4-7-13/h2-9,12H,10-11,16H2,1H3,(H,17,19)
InChIKeyKZYUMJZUVBJXPG-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.82
Rot. Bonds5

About 2-[2-(1-aminoethyl)pyrrol-1-yl]-N-benzylacetamide

2-[2-(1-aminoethyl)pyrrol-1-yl]-N-benzylacetamide (PubChem CID 79101821) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)pyrrol-1-yl]-N-benzylacetamide.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)pyrrol-1-yl]-N-benzylacetamide
PubChem CID79101821
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[2-(1-aminoethyl)pyrrol-1-yl]-N-benzylacetamide
SMILESCC(N)c1cccn1CC(=O)NCc1ccccc1
InChIInChI=1S/C15H19N3O/c1-12(16)14-8-5-9-18(14)11-15(19)17-10-13-6-3-2-4-7-13/h2-9,12H,10-11,16H2,1H3,(H,17,19)
InChIKeyKZYUMJZUVBJXPG-UHFFFAOYSA-N
XLogP1.82
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1-aminoethyl)pyrrol-1-yl]-N-butylacetamide
CID 79102321
N-benzyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66402920
2-[4-(1-aminoethyl)triazol-1-yl]-N-benzylacetamide
CID 114419675
2-[2-(1-hydroxyethyl)pyrrol-1-yl]-N-(2-methylpropyl)acetamide
CID 79106315
2-(2-aminopropylsulfanyl)-N-benzylacetamide
CID 66220422
5-(benzylamino)-2-methyl-5-oxopentanoic acid
CID 112515547
N-benzyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 30636979
N-benzyl-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide
CID 53114528
2-(4-benzyl-2,3-dioxopyrazin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 6625783
N-benzyl-2-[2-(ethylaminomethyl)imidazol-1-yl]acetamide
CID 62223549
2-(5-aminoindol-1-yl)-N-benzylacetamide
CID 43342948
N-benzyl-2-[4,7-bis(2-hydroxypropyl)-1,4,7-triazonan-1-yl]acetamide
CID 163526789

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)pyrrol-1-yl]-N-benzylacetamide?
The IUPAC name of 2-[2-(1-aminoethyl)pyrrol-1-yl]-N-benzylacetamide (CID 79101821) is 2-[2-(1-aminoethyl)pyrrol-1-yl]-N-benzylacetamide.
What is the SMILES notation for 2-[2-(1-aminoethyl)pyrrol-1-yl]-N-benzylacetamide?
The canonical SMILES for 2-[2-(1-aminoethyl)pyrrol-1-yl]-N-benzylacetamide is CC(N)c1cccn1CC(=O)NCc1ccccc1.
What is the InChIKey of 2-[2-(1-aminoethyl)pyrrol-1-yl]-N-benzylacetamide?
The InChIKey is KZYUMJZUVBJXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12(16)14-8-5-9-18(14)11-15(19)17-10-13-6-3-2-4-7-13/h2-9,12H,10-11,16H2,1H3,(H,17,19).
What are the key properties of 2-[2-(1-aminoethyl)pyrrol-1-yl]-N-benzylacetamide?
2-[2-(1-aminoethyl)pyrrol-1-yl]-N-benzylacetamide has a molecular weight of 257.34 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)pyrrol-1-yl]-N-benzylacetamide is sourced from PubChem (CID 79101821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).