N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide

C16H24N2O — CID 51073042

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
SMILESCCN1CCCC1CNC(=O)CCc1ccccc1
InChIInChI=1S/C16H24N2O/c1-2-18-12-6-9-15(18)13-17-16(19)11-10-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3,(H,17,19)
InChIKeyUYUPNCUPLZVZIU-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.22
Rot. Bonds6

About N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide (PubChem CID 51073042) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
PubChem CID51073042
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
SMILESCCN1CCCC1CNC(=O)CCc1ccccc1
InChIInChI=1S/C16H24N2O/c1-2-18-12-6-9-15(18)13-17-16(19)11-10-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3,(H,17,19)
InChIKeyUYUPNCUPLZVZIU-UHFFFAOYSA-N
XLogP2.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide
CID 91822594
3-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]propanamide
CID 124847936
4-phenyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]butanamide
CID 11385742
1-benzyl-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 103604163
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 8839794
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-hydroxyphenyl)acetamide
CID 61399758
N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine;oxalic acid
CID 17053062
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylphenoxy)acetamide
CID 9087672
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylphenoxy)acetamide
CID 9087674
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 24706556
(2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-phenyl-2-pyrrol-1-ylpropanamide
CID 124878513
2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
CID 46357255

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide (CID 51073042) is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide is CCN1CCCC1CNC(=O)CCc1ccccc1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide?
The InChIKey is UYUPNCUPLZVZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-18-12-6-9-15(18)13-17-16(19)11-10-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3,(H,17,19).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide has a molecular weight of 260.38 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 51073042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).