N-(1-benzylpyrrolidin-3-yl)-3-(ethylamino)propanamide

C16H25N3O — CID 62833579

IUPACN-(1-benzylpyrrolidin-3-yl)-3-(ethylamino)propanamide
SMILESCCNCCC(=O)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C16H25N3O/c1-2-17-10-8-16(20)18-15-9-11-19(13-15)12-14-6-4-3-5-7-14/h3-7,15,17H,2,8-13H2,1H3,(H,18,20)
InChIKeyWANCPUAMHSJLFZ-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.38
Rot. Bonds7

About N-(1-benzylpyrrolidin-3-yl)-3-(ethylamino)propanamide

N-(1-benzylpyrrolidin-3-yl)-3-(ethylamino)propanamide (PubChem CID 62833579) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-3-(ethylamino)propanamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-3-(ethylamino)propanamide
PubChem CID62833579
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-3-(ethylamino)propanamide
SMILESCCNCCC(=O)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C16H25N3O/c1-2-17-10-8-16(20)18-15-9-11-19(13-15)12-14-6-4-3-5-7-14/h3-7,15,17H,2,8-13H2,1H3,(H,18,20)
InChIKeyWANCPUAMHSJLFZ-UHFFFAOYSA-N
XLogP1.38
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide
CID 51947538
N-(1-benzylpiperidin-3-yl)butanamide
CID 60756097
N-[3-[(1-benzylpyrrolidin-3-yl)amino]-3-oxopropyl]-2-methylbenzamide
CID 24633033
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
2-(azetidin-3-yl)-N-(1-benzylpyrrolidin-3-yl)acetamide
CID 64618361
N-(1-benzylpyrrolidin-3-yl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 55378288
2-(azepan-1-yl)-N-[(3S)-1-benzylpyrrolidin-3-yl]acetamide
CID 131913098
N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724
N-(1-benzylpyrrolidin-3-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18156427
N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 94785030
N-(1-benzylpyrrolidin-3-yl)-3-[1-(2-hydroxyethyl)piperidin-4-yl]propanamide
CID 72937332
N-(1-benzylpyrrolidin-3-yl)-3-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]propanamide
CID 72852322

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-3-(ethylamino)propanamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-3-(ethylamino)propanamide (CID 62833579) is N-(1-benzylpyrrolidin-3-yl)-3-(ethylamino)propanamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-3-(ethylamino)propanamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-3-(ethylamino)propanamide is CCNCCC(=O)NC1CCN(Cc2ccccc2)C1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-3-(ethylamino)propanamide?
The InChIKey is WANCPUAMHSJLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-17-10-8-16(20)18-15-9-11-19(13-15)12-14-6-4-3-5-7-14/h3-7,15,17H,2,8-13H2,1H3,(H,18,20).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-3-(ethylamino)propanamide?
N-(1-benzylpyrrolidin-3-yl)-3-(ethylamino)propanamide has a molecular weight of 275.40 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-3-(ethylamino)propanamide is sourced from PubChem (CID 62833579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).