(3S,4R)-N-cyclopropyl-1-(furan-2-carbonyl)-4-phenylpyrrolidine-3-carboxamide

C19H20N2O3 — CID 93148434

IUPAC(3S,4R)-N-cyclopropyl-1-(furan-2-carbonyl)-4-phenylpyrrolidine-3-carboxamide
SMILESO=C(NC1CC1)[C@@H]1CN(C(=O)c2ccco2)C[C@H]1c1ccccc1
InChIInChI=1S/C19H20N2O3/c22-18(20-14-8-9-14)16-12-21(19(23)17-7-4-10-24-17)11-15(16)13-5-2-1-3-6-13/h1-7,10,14-16H,8-9,11-12H2,(H,20,22)/t15-,16+/m0/s1
InChIKeyIHFVPYIHGYWNPJ-JKSUJKDBSA-N
MW324.38 g/mol
LogP2.41
Rot. Bonds4

About (3S,4R)-N-cyclopropyl-1-(furan-2-carbonyl)-4-phenylpyrrolidine-3-carboxamide

(3S,4R)-N-cyclopropyl-1-(furan-2-carbonyl)-4-phenylpyrrolidine-3-carboxamide (PubChem CID 93148434) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (3S,4R)-N-cyclopropyl-1-(furan-2-carbonyl)-4-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4R)-N-cyclopropyl-1-(furan-2-carbonyl)-4-phenylpyrrolidine-3-carboxamide
PubChem CID93148434
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(3S,4R)-N-cyclopropyl-1-(furan-2-carbonyl)-4-phenylpyrrolidine-3-carboxamide
SMILESO=C(NC1CC1)[C@@H]1CN(C(=O)c2ccco2)C[C@H]1c1ccccc1
InChIInChI=1S/C19H20N2O3/c22-18(20-14-8-9-14)16-12-21(19(23)17-7-4-10-24-17)11-15(16)13-5-2-1-3-6-13/h1-7,10,14-16H,8-9,11-12H2,(H,20,22)/t15-,16+/m0/s1
InChIKeyIHFVPYIHGYWNPJ-JKSUJKDBSA-N
XLogP2.41
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-1-methyl-4-phenylpyrrolidine-3-carboxamide
CID 102551990
(3S,4S)-N-cyclopropyl-1-methyl-4-phenylpyrrolidine-3-carboxamide
CID 100816182
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(furan-2-yl)methanone
CID 120742263
4-(4-fluorophenyl)-1-(furan-2-carbonyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 42680934
N-benzyl-1-(furan-2-carbonyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42825926
1-(furan-2-carbonyl)-N-(4-hydroxycyclohexyl)piperidine-4-carboxamide
CID 17447551
2-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 113083174
furan-2-yl-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 70200803
cis-(1S,3R)-3-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 129397980
furan-2-yl-[(3S)-3-phenylpiperidin-1-yl]methanone
CID 740547
furan-2-yl-(3-phenylazepan-1-yl)methanone
CID 90608497
(3S,4R)-1-(furan-2-carbonyl)-4-(4-methoxyphenyl)-N-(3-methylbutyl)pyrrolidine-3-carboxamide
CID 93148822

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-N-cyclopropyl-1-(furan-2-carbonyl)-4-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4R)-N-cyclopropyl-1-(furan-2-carbonyl)-4-phenylpyrrolidine-3-carboxamide (CID 93148434) is (3S,4R)-N-cyclopropyl-1-(furan-2-carbonyl)-4-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4R)-N-cyclopropyl-1-(furan-2-carbonyl)-4-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4R)-N-cyclopropyl-1-(furan-2-carbonyl)-4-phenylpyrrolidine-3-carboxamide is O=C(NC1CC1)[C@@H]1CN(C(=O)c2ccco2)C[C@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-N-cyclopropyl-1-(furan-2-carbonyl)-4-phenylpyrrolidine-3-carboxamide?
The InChIKey is IHFVPYIHGYWNPJ-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-18(20-14-8-9-14)16-12-21(19(23)17-7-4-10-24-17)11-15(16)13-5-2-1-3-6-13/h1-7,10,14-16H,8-9,11-12H2,(H,20,22)/t15-,16+/m0/s1.
What are the key properties of (3S,4R)-N-cyclopropyl-1-(furan-2-carbonyl)-4-phenylpyrrolidine-3-carboxamide?
(3S,4R)-N-cyclopropyl-1-(furan-2-carbonyl)-4-phenylpyrrolidine-3-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-N-cyclopropyl-1-(furan-2-carbonyl)-4-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 93148434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).