(3R)-N-(furan-2-ylmethyl)-3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carboxamide

C17H20N2O3 — CID 126435745

IUPAC(3R)-N-(furan-2-ylmethyl)-3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccccc1[C@]1(O)CCN(C(=O)NCc2ccco2)C1
InChIInChI=1S/C17H20N2O3/c1-13-5-2-3-7-15(13)17(21)8-9-19(12-17)16(20)18-11-14-6-4-10-22-14/h2-7,10,21H,8-9,11-12H2,1H3,(H,18,20)/t17-/m0/s1
InChIKeyFRJVAXSCTOGWOS-KRWDZBQOSA-N
MW300.36 g/mol
LogP2.39
Rot. Bonds3

About (3R)-N-(furan-2-ylmethyl)-3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carboxamide

(3R)-N-(furan-2-ylmethyl)-3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carboxamide (PubChem CID 126435745) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is (3R)-N-(furan-2-ylmethyl)-3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(furan-2-ylmethyl)-3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carboxamide
PubChem CID126435745
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name(3R)-N-(furan-2-ylmethyl)-3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccccc1[C@]1(O)CCN(C(=O)NCc2ccco2)C1
InChIInChI=1S/C17H20N2O3/c1-13-5-2-3-7-15(13)17(21)8-9-19(12-17)16(20)18-11-14-6-4-10-22-14/h2-7,10,21H,8-9,11-12H2,1H3,(H,18,20)/t17-/m0/s1
InChIKeyFRJVAXSCTOGWOS-KRWDZBQOSA-N
XLogP2.39
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-4-[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyridine-2-carboxamide
CID 95528034
N-(furan-2-ylmethyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 119068027
1-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 91771584
N-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 16645751
(1R,3S)-N-(furan-2-ylmethyl)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide
CID 70706286
N-(furan-2-ylmethyl)-2,6-dimethylmorpholine-4-carboxamide
CID 47125598
tert-butyl 4-(furan-2-ylmethylcarbamoyl)piperazine-1-carboxylate
CID 127575362
(5R)-N-(furan-2-ylmethyl)-5-methoxy-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 97273108
4-(3-fluoro-4-methylbenzoyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 47062417
4-(2-chloro-4,6-dimethylphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106498
N-(furan-2-ylmethyl)-4-prop-2-enylpiperazine-1-carboxamide
CID 113103527
N-(furan-2-ylmethyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 676282

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(furan-2-ylmethyl)-3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-(furan-2-ylmethyl)-3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carboxamide (CID 126435745) is (3R)-N-(furan-2-ylmethyl)-3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(furan-2-ylmethyl)-3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-(furan-2-ylmethyl)-3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carboxamide is Cc1ccccc1[C@]1(O)CCN(C(=O)NCc2ccco2)C1.
What is the InChIKey of (3R)-N-(furan-2-ylmethyl)-3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is FRJVAXSCTOGWOS-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-13-5-2-3-7-15(13)17(21)8-9-19(12-17)16(20)18-11-14-6-4-10-22-14/h2-7,10,21H,8-9,11-12H2,1H3,(H,18,20)/t17-/m0/s1.
What are the key properties of (3R)-N-(furan-2-ylmethyl)-3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carboxamide?
(3R)-N-(furan-2-ylmethyl)-3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(furan-2-ylmethyl)-3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 126435745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).