N-[[1-(furan-3-ylmethyl)pyrrolidin-3-yl]methyl]-1-phenylcyclopropane-1-carboxamide

C20H24N2O2 — CID 56704001

IUPACN-[[1-(furan-3-ylmethyl)pyrrolidin-3-yl]methyl]-1-phenylcyclopropane-1-carboxamide
SMILESO=C(NCC1CCN(Cc2ccoc2)C1)C1(c2ccccc2)CC1
InChIInChI=1S/C20H24N2O2/c23-19(20(8-9-20)18-4-2-1-3-5-18)21-12-16-6-10-22(13-16)14-17-7-11-24-15-17/h1-5,7,11,15-16H,6,8-10,12-14H2,(H,21,23)
InChIKeyRWGAFWVTUMLHCR-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.95
Rot. Bonds6

About N-[[1-(furan-3-ylmethyl)pyrrolidin-3-yl]methyl]-1-phenylcyclopropane-1-carboxamide

N-[[1-(furan-3-ylmethyl)pyrrolidin-3-yl]methyl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 56704001) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[[1-(furan-3-ylmethyl)pyrrolidin-3-yl]methyl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(furan-3-ylmethyl)pyrrolidin-3-yl]methyl]-1-phenylcyclopropane-1-carboxamide
PubChem CID56704001
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[[1-(furan-3-ylmethyl)pyrrolidin-3-yl]methyl]-1-phenylcyclopropane-1-carboxamide
SMILESO=C(NCC1CCN(Cc2ccoc2)C1)C1(c2ccccc2)CC1
InChIInChI=1S/C20H24N2O2/c23-19(20(8-9-20)18-4-2-1-3-5-18)21-12-16-6-10-22(13-16)14-17-7-11-24-15-17/h1-5,7,11,15-16H,6,8-10,12-14H2,(H,21,23)
InChIKeyRWGAFWVTUMLHCR-UHFFFAOYSA-N
XLogP2.95
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide
CID 94488648
N-[[(3S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 95222106
1-(furan-3-ylmethyl)-4-phenylpiperidine-4-carboxylic acid
CID 65072209
N-[[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methyl]-4-phenylbenzamide
CID 42195132
(1-benzylpyrrolidin-3-yl)methylurea
CID 119030980
N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
CID 125171754
N-[(4-aminocyclohexyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 106124685
N-(cyclopropylmethyl)-1-phenylcyclobutane-1-carboxamide
CID 34832176
N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(furan-2-yl)-2-oxoacetamide
CID 77092347
N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-4-phenyloxane-4-carboxamide
CID 121021220
N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide
CID 56990100
2-amino-N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553008

Frequently Asked Questions

What is the IUPAC name of N-[[1-(furan-3-ylmethyl)pyrrolidin-3-yl]methyl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[[1-(furan-3-ylmethyl)pyrrolidin-3-yl]methyl]-1-phenylcyclopropane-1-carboxamide (CID 56704001) is N-[[1-(furan-3-ylmethyl)pyrrolidin-3-yl]methyl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[[1-(furan-3-ylmethyl)pyrrolidin-3-yl]methyl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[[1-(furan-3-ylmethyl)pyrrolidin-3-yl]methyl]-1-phenylcyclopropane-1-carboxamide is O=C(NCC1CCN(Cc2ccoc2)C1)C1(c2ccccc2)CC1.
What is the InChIKey of N-[[1-(furan-3-ylmethyl)pyrrolidin-3-yl]methyl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is RWGAFWVTUMLHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c23-19(20(8-9-20)18-4-2-1-3-5-18)21-12-16-6-10-22(13-16)14-17-7-11-24-15-17/h1-5,7,11,15-16H,6,8-10,12-14H2,(H,21,23).
What are the key properties of N-[[1-(furan-3-ylmethyl)pyrrolidin-3-yl]methyl]-1-phenylcyclopropane-1-carboxamide?
N-[[1-(furan-3-ylmethyl)pyrrolidin-3-yl]methyl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(furan-3-ylmethyl)pyrrolidin-3-yl]methyl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 56704001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).