N-benzyl-N-ethyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide

C17H26N2O2 — CID 84591484

IUPACN-benzyl-N-ethyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
SMILESCCN(Cc1ccccc1)C(=O)C(C)N1CCC(C)(O)C1
InChIInChI=1S/C17H26N2O2/c1-4-18(12-15-8-6-5-7-9-15)16(20)14(2)19-11-10-17(3,21)13-19/h5-9,14,21H,4,10-13H2,1-3H3
InChIKeyBCKSAFNNSDBULF-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.88
Rot. Bonds5

About N-benzyl-N-ethyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide

N-benzyl-N-ethyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide (PubChem CID 84591484) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
PubChem CID84591484
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-benzyl-N-ethyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
SMILESCCN(Cc1ccccc1)C(=O)C(C)N1CCC(C)(O)C1
InChIInChI=1S/C17H26N2O2/c1-4-18(12-15-8-6-5-7-9-15)16(20)14(2)19-11-10-17(3,21)13-19/h5-9,14,21H,4,10-13H2,1-3H3
InChIKeyBCKSAFNNSDBULF-UHFFFAOYSA-N
XLogP1.88
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(2S)-N-benzyl-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-ethylpropanamide
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N-benzyl-2-bromo-N-ethylpropanamide
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N-benzyl-N,4-diethylpiperazine-1-carboxamide
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2-amino-N-benzyl-N-ethyl-3-methylpentanamide;hydrochloride
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1-[1-(diethylamino)-1-oxopropan-2-yl]-4-ethylpiperidine-4-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide?
The IUPAC name of N-benzyl-N-ethyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide (CID 84591484) is N-benzyl-N-ethyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide?
The canonical SMILES for N-benzyl-N-ethyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide is CCN(Cc1ccccc1)C(=O)C(C)N1CCC(C)(O)C1.
What is the InChIKey of N-benzyl-N-ethyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide?
The InChIKey is BCKSAFNNSDBULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-18(12-15-8-6-5-7-9-15)16(20)14(2)19-11-10-17(3,21)13-19/h5-9,14,21H,4,10-13H2,1-3H3.
What are the key properties of N-benzyl-N-ethyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide?
N-benzyl-N-ethyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide has a molecular weight of 290.41 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 N-benzyl-N-ethyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide is sourced from PubChem (CID 84591484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).