2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide

C17H27N3O — CID 115969261

IUPAC2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide
SMILESCC(N)C1CCN(CC(=O)N(C)C(C)c2ccccc2)C1
InChIInChI=1S/C17H27N3O/c1-13(18)16-9-10-20(11-16)12-17(21)19(3)14(2)15-7-5-4-6-8-15/h4-8,13-14,16H,9-12,18H2,1-3H3
InChIKeyRDSJLSUBPLAECF-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.88
Rot. Bonds5

About 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide

2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide (PubChem CID 115969261) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide
PubChem CID115969261
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide
SMILESCC(N)C1CCN(CC(=O)N(C)C(C)c2ccccc2)C1
InChIInChI=1S/C17H27N3O/c1-13(18)16-9-10-20(11-16)12-17(21)19(3)14(2)15-7-5-4-6-8-15/h4-8,13-14,16H,9-12,18H2,1-3H3
InChIKeyRDSJLSUBPLAECF-UHFFFAOYSA-N
XLogP1.88
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-phenylpropanoic acid
CID 103976377
2-[3-(1-aminoethyl)piperidin-1-yl]-N-ethyl-N-phenylacetamide;hydrochloride
CID 119925384
N-methyl-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 94424196
1-[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119903870
1-[2-[methyl-[(1S)-1-pyridin-4-ylethyl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 97117053
2-(4-aminopiperidin-1-yl)-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide
CID 79323070
1-[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119903869
N-benzhydryl-2-(4-ethoxypiperidin-1-yl)-N-methylacetamide
CID 55988474
(1S)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanamine;dihydrochloride
CID 71741811
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 112630158
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide
CID 115969183
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 112630380

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide (CID 115969261) is 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide is CC(N)C1CCN(CC(=O)N(C)C(C)c2ccccc2)C1.
What is the InChIKey of 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide?
The InChIKey is RDSJLSUBPLAECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13(18)16-9-10-20(11-16)12-17(21)19(3)14(2)15-7-5-4-6-8-15/h4-8,13-14,16H,9-12,18H2,1-3H3.
What are the key properties of 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide?
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide has a molecular weight of 289.42 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 115969261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).