N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide

C15H22N2O — CID 56990100

IUPACN-[(1-benzylpyrrolidin-3-yl)methyl]propanamide
SMILESCCC(=O)NCC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C15H22N2O/c1-2-15(18)16-10-14-8-9-17(12-14)11-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,16,18)
InChIKeyOLZFGWUDLVYHQC-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.03
Rot. Bonds5

About N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide

N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide (PubChem CID 56990100) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(1-benzylpyrrolidin-3-yl)methyl]propanamide
PubChem CID56990100
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[(1-benzylpyrrolidin-3-yl)methyl]propanamide
SMILESCCC(=O)NCC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C15H22N2O/c1-2-15(18)16-10-14-8-9-17(12-14)11-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,16,18)
InChIKeyOLZFGWUDLVYHQC-UHFFFAOYSA-N
XLogP2.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553008
2-amino-N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553009
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]acetamide
CID 66565184
N-[(1-benzylpyrrolidin-3-yl)methyl]-3-ethylsulfanylpropanamide
CID 118788894
(1-benzylpyrrolidin-3-yl)methylurea
CID 119030980
N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-2,2,2-trifluoroacetamide
CID 124514796
N-[(1-benzylpyrrolidin-3-yl)methyl]propan-1-amine
CID 14280885
1-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-2,3-dimethylguanidine
CID 124628337
2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide
CID 96553013
N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
N-[(1-benzylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 56703727

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide?
The IUPAC name of N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide (CID 56990100) is N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide.
What is the SMILES notation for N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide?
The canonical SMILES for N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide is CCC(=O)NCC1CCN(Cc2ccccc2)C1.
What is the InChIKey of N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide?
The InChIKey is OLZFGWUDLVYHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-15(18)16-10-14-8-9-17(12-14)11-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,16,18).
What are the key properties of N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide?
N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide has a molecular weight of 246.35 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide is sourced from PubChem (CID 56990100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).