2-(2-benzylpyrrolidin-1-yl)-N-(ethylcarbamoyl)propanamide

C17H25N3O2 — CID 78838606

IUPAC2-(2-benzylpyrrolidin-1-yl)-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)N1CCCC1Cc1ccccc1
InChIInChI=1S/C17H25N3O2/c1-3-18-17(22)19-16(21)13(2)20-11-7-10-15(20)12-14-8-5-4-6-9-14/h4-6,8-9,13,15H,3,7,10-12H2,1-2H3,(H2,18,19,21,22)
InChIKeyCLCIBXLCACMPSR-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.93
Rot. Bonds5

About 2-(2-benzylpyrrolidin-1-yl)-N-(ethylcarbamoyl)propanamide

2-(2-benzylpyrrolidin-1-yl)-N-(ethylcarbamoyl)propanamide (PubChem CID 78838606) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-(2-benzylpyrrolidin-1-yl)-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(2-benzylpyrrolidin-1-yl)-N-(ethylcarbamoyl)propanamide
PubChem CID78838606
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-(2-benzylpyrrolidin-1-yl)-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)N1CCCC1Cc1ccccc1
InChIInChI=1S/C17H25N3O2/c1-3-18-17(22)19-16(21)13(2)20-11-7-10-15(20)12-14-8-5-4-6-9-14/h4-6,8-9,13,15H,3,7,10-12H2,1-2H3,(H2,18,19,21,22)
InChIKeyCLCIBXLCACMPSR-UHFFFAOYSA-N
XLogP1.93
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-benzylpiperidin-1-yl)-N-ethylpropanamide
CID 93328769
N-ethyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62015104
(2S)-N-benzyl-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 95609157
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(ethylcarbamoyl)propanamide
CID 80507114
2-(2-benzylazetidin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 167848545
N-(benzylcarbamoyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
CID 119918549
(2S)-N-(benzylcarbamoyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 9250096
(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(ethylcarbamoyl)propanamide
CID 26551728
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-phenylpropanamide
CID 62469251
2-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidin-2-yl]acetic acid
CID 54899679
2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-ethylpropanamide
CID 63762840
(2R)-N-(ethylcarbamoyl)-2-phenyl-2-piperidin-1-ylacetamide
CID 26551632

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylpyrrolidin-1-yl)-N-(ethylcarbamoyl)propanamide?
The IUPAC name of 2-(2-benzylpyrrolidin-1-yl)-N-(ethylcarbamoyl)propanamide (CID 78838606) is 2-(2-benzylpyrrolidin-1-yl)-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for 2-(2-benzylpyrrolidin-1-yl)-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for 2-(2-benzylpyrrolidin-1-yl)-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)C(C)N1CCCC1Cc1ccccc1.
What is the InChIKey of 2-(2-benzylpyrrolidin-1-yl)-N-(ethylcarbamoyl)propanamide?
The InChIKey is CLCIBXLCACMPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-3-18-17(22)19-16(21)13(2)20-11-7-10-15(20)12-14-8-5-4-6-9-14/h4-6,8-9,13,15H,3,7,10-12H2,1-2H3,(H2,18,19,21,22).
What are the key properties of 2-(2-benzylpyrrolidin-1-yl)-N-(ethylcarbamoyl)propanamide?
2-(2-benzylpyrrolidin-1-yl)-N-(ethylcarbamoyl)propanamide has a molecular weight of 303.41 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylpyrrolidin-1-yl)-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 78838606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).