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

C16H21N3O — CID 66402920

IUPACN-benzyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
SMILESCCNCc1cccn1CC(=O)NCc1ccccc1
InChIInChI=1S/C16H21N3O/c1-2-17-12-15-9-6-10-19(15)13-16(20)18-11-14-7-4-3-5-8-14/h3-10,17H,2,11-13H2,1H3,(H,18,20)
InChIKeyLEACSRLQAGGNDC-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.91
Rot. Bonds7

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

N-benzyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide (PubChem CID 66402920) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-benzyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
PubChem CID66402920
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-benzyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
SMILESCCNCc1cccn1CC(=O)NCc1ccccc1
InChIInChI=1S/C16H21N3O/c1-2-17-12-15-9-6-10-19(15)13-16(20)18-11-14-7-4-3-5-8-14/h3-10,17H,2,11-13H2,1H3,(H,18,20)
InChIKeyLEACSRLQAGGNDC-UHFFFAOYSA-N
XLogP1.91
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[2-(ethylaminomethyl)imidazol-1-yl]acetamide
CID 62223549
N-(cyclopropylmethyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66402341
N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]ethanamine
CID 66402346
N-tert-butyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66401169
2-[2-(1-aminoethyl)pyrrol-1-yl]-N-benzylacetamide
CID 79101821
2-[2-(ethylaminomethyl)pyrrol-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 66402539
N-(2-bromophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66402352
N-ethyl-2-[2-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide
CID 66401597
2-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-N-ethylacetamide
CID 66401632
N-(4-chlorophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66402546
2-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]-N-propylacetamide
CID 66401260
N-(3-chlorophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66400972

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide (CID 66402920) is N-benzyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide is CCNCc1cccn1CC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide?
The InChIKey is LEACSRLQAGGNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-17-12-15-9-6-10-19(15)13-16(20)18-11-14-7-4-3-5-8-14/h3-10,17H,2,11-13H2,1H3,(H,18,20).
What are the key properties of N-benzyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide?
N-benzyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide has a molecular weight of 271.36 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide is sourced from PubChem (CID 66402920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).