N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(furan-2-yl)-2-oxoacetamide

C18H20N2O3 — CID 77092347

IUPACN-[(1-benzylpyrrolidin-3-yl)methyl]-2-(furan-2-yl)-2-oxoacetamide
SMILESO=C(NCC1CCN(Cc2ccccc2)C1)C(=O)c1ccco1
InChIInChI=1S/C18H20N2O3/c21-17(16-7-4-10-23-16)18(22)19-11-15-8-9-20(13-15)12-14-5-2-1-3-6-14/h1-7,10,15H,8-9,11-13H2,(H,19,22)
InChIKeyUZNLMUBVWOZCGK-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.10
Rot. Bonds6

About N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(furan-2-yl)-2-oxoacetamide

N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(furan-2-yl)-2-oxoacetamide (PubChem CID 77092347) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(furan-2-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[(1-benzylpyrrolidin-3-yl)methyl]-2-(furan-2-yl)-2-oxoacetamide
PubChem CID77092347
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[(1-benzylpyrrolidin-3-yl)methyl]-2-(furan-2-yl)-2-oxoacetamide
SMILESO=C(NCC1CCN(Cc2ccccc2)C1)C(=O)c1ccco1
InChIInChI=1S/C18H20N2O3/c21-17(16-7-4-10-23-16)18(22)19-11-15-8-9-20(13-15)12-14-5-2-1-3-6-14/h1-7,10,15H,8-9,11-13H2,(H,19,22)
InChIKeyUZNLMUBVWOZCGK-UHFFFAOYSA-N
XLogP2.10
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1-benzylpyrrolidin-3-yl)methylurea
CID 119030980
N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide
CID 56990100
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-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-2,2,2-trifluoroacetamide
CID 124514796
N-[(1-benzylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 56703727
1-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-2,3-dimethylguanidine
CID 124628337
N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
[1-[[3-(aminomethyl)phenyl]methyl]pyrrolidin-3-yl]methylcarbamic acid
CID 135324861
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
N-[(1-benzylpyrrolidin-3-yl)methyl]-3-ethylsulfanylpropanamide
CID 118788894

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(furan-2-yl)-2-oxoacetamide?
The IUPAC name of N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(furan-2-yl)-2-oxoacetamide (CID 77092347) is N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(furan-2-yl)-2-oxoacetamide.
What is the SMILES notation for N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(furan-2-yl)-2-oxoacetamide?
The canonical SMILES for N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(furan-2-yl)-2-oxoacetamide is O=C(NCC1CCN(Cc2ccccc2)C1)C(=O)c1ccco1.
What is the InChIKey of N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(furan-2-yl)-2-oxoacetamide?
The InChIKey is UZNLMUBVWOZCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c21-17(16-7-4-10-23-16)18(22)19-11-15-8-9-20(13-15)12-14-5-2-1-3-6-14/h1-7,10,15H,8-9,11-13H2,(H,19,22).
What are the key properties of N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(furan-2-yl)-2-oxoacetamide?
N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(furan-2-yl)-2-oxoacetamide has a molecular weight of 312.37 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(furan-2-yl)-2-oxoacetamide is sourced from PubChem (CID 77092347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).