3-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]furan-2-carboxamide

C18H22N2O2 — CID 51091908

IUPAC3-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]furan-2-carboxamide
SMILESCc1ccoc1C(=O)NC1CCN(C(C)c2ccccc2)C1
InChIInChI=1S/C18H22N2O2/c1-13-9-11-22-17(13)18(21)19-16-8-10-20(12-16)14(2)15-6-4-3-5-7-15/h3-7,9,11,14,16H,8,10,12H2,1-2H3,(H,19,21)
InChIKeyZFAMIJAOYNIUAO-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.15
Rot. Bonds4

About 3-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]furan-2-carboxamide

3-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]furan-2-carboxamide (PubChem CID 51091908) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]furan-2-carboxamide
PubChem CID51091908
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name3-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]furan-2-carboxamide
SMILESCc1ccoc1C(=O)NC1CCN(C(C)c2ccccc2)C1
InChIInChI=1S/C18H22N2O2/c1-13-9-11-22-17(13)18(21)19-16-8-10-20(12-16)14(2)15-6-4-3-5-7-15/h3-7,9,11,14,16H,8,10,12H2,1-2H3,(H,19,21)
InChIKeyZFAMIJAOYNIUAO-UHFFFAOYSA-N
XLogP3.15
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 94197653
2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide
CID 47070507
N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridine-2-carboxamide
CID 94536296
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 98726634
N-cyclopropyl-3-methylfuran-2-carboxamide
CID 60675996
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 94536313
1-oxido-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]pyridin-1-ium-2-carboxamide
CID 95094293
6-oxo-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-1H-pyridine-3-carboxamide
CID 94536258
5-nitro-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]furan-2-carboxamide
CID 98790580
3,5-dimethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide
CID 60569671
1-cyclopropyl-3-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]thiourea
CID 98760713
3-acetamido-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 100840976

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]furan-2-carboxamide?
The IUPAC name of 3-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]furan-2-carboxamide (CID 51091908) is 3-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]furan-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]furan-2-carboxamide?
The canonical SMILES for 3-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]furan-2-carboxamide is Cc1ccoc1C(=O)NC1CCN(C(C)c2ccccc2)C1.
What is the InChIKey of 3-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]furan-2-carboxamide?
The InChIKey is ZFAMIJAOYNIUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13-9-11-22-17(13)18(21)19-16-8-10-20(12-16)14(2)15-6-4-3-5-7-15/h3-7,9,11,14,16H,8,10,12H2,1-2H3,(H,19,21).
What are the key properties of 3-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]furan-2-carboxamide?
3-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]furan-2-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 51091908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).