2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethylpropanamide

C17H27N3O — CID 77143822

IUPAC2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethylpropanamide
SMILESCCN(CC1CCN(Cc2ccccc2)C1)C(=O)C(C)N
InChIInChI=1S/C17H27N3O/c1-3-20(17(21)14(2)18)13-16-9-10-19(12-16)11-15-7-5-4-6-8-15/h4-8,14,16H,3,9-13,18H2,1-2H3
InChIKeyUMNSMOBBLNWFMH-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.70
Rot. Bonds6

About 2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethylpropanamide

2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethylpropanamide (PubChem CID 77143822) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethylpropanamide
PubChem CID77143822
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethylpropanamide
SMILESCCN(CC1CCN(Cc2ccccc2)C1)C(=O)C(C)N
InChIInChI=1S/C17H27N3O/c1-3-20(17(21)14(2)18)13-16-9-10-19(12-16)11-15-7-5-4-6-8-15/h4-8,14,16H,3,9-13,18H2,1-2H3
InChIKeyUMNSMOBBLNWFMH-UHFFFAOYSA-N
XLogP1.70
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-N-ethylpropanamide
CID 96553063
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyl-2-methylpropanamide;dihydrochloride
CID 119897569
(2S)-2-amino-N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]-N-ethylpropanamide
CID 66565271
(3S)-N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-N-ethyl-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 99792793
2-amino-N-[(1-benzylpiperidin-2-yl)methyl]-N-ethylpropanamide
CID 77143825
N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyl-1,5-dimethylpyrrole-2-carboxamide
CID 71989448
4-(aminomethyl)-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyloxane-4-carboxamide;dihydrochloride
CID 120942638
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878304
N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 102558605
benzyl N-[[1-[(2S)-2-aminopropanoyl]pyrrolidin-3-yl]methyl]-N-ethylcarbamate
CID 66566754
benzyl 3-[[(2-amino-3-methylbutanoyl)-ethylamino]methyl]pyrrolidine-1-carboxylate
CID 77143799
1-benzyl-3-ethylpyrrolidine
CID 12648208

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethylpropanamide?
The IUPAC name of 2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethylpropanamide (CID 77143822) is 2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethylpropanamide.
What is the SMILES notation for 2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethylpropanamide?
The canonical SMILES for 2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethylpropanamide is CCN(CC1CCN(Cc2ccccc2)C1)C(=O)C(C)N.
What is the InChIKey of 2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethylpropanamide?
The InChIKey is UMNSMOBBLNWFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-20(17(21)14(2)18)13-16-9-10-19(12-16)11-15-7-5-4-6-8-15/h4-8,14,16H,3,9-13,18H2,1-2H3.
What are the key properties of 2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethylpropanamide?
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethylpropanamide has a molecular weight of 289.42 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethylpropanamide is sourced from PubChem (CID 77143822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).