tert-butyl 3-[4-(furan-2-yl)anilino]pyrrolidine-1-carboxylate

C19H24N2O3 — CID 168527057

IUPACtert-butyl 3-[4-(furan-2-yl)anilino]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2ccc(-c3ccco3)cc2)C1
InChIInChI=1S/C19H24N2O3/c1-19(2,3)24-18(22)21-11-10-16(13-21)20-15-8-6-14(7-9-15)17-5-4-12-23-17/h4-9,12,16,20H,10-11,13H2,1-3H3
InChIKeyBVDHFAAGDZRQCC-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.37
Rot. Bonds3

About tert-butyl 3-[4-(furan-2-yl)anilino]pyrrolidine-1-carboxylate

tert-butyl 3-[4-(furan-2-yl)anilino]pyrrolidine-1-carboxylate (PubChem CID 168527057) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is tert-butyl 3-[4-(furan-2-yl)anilino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[4-(furan-2-yl)anilino]pyrrolidine-1-carboxylate
PubChem CID168527057
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Nametert-butyl 3-[4-(furan-2-yl)anilino]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2ccc(-c3ccco3)cc2)C1
InChIInChI=1S/C19H24N2O3/c1-19(2,3)24-18(22)21-11-10-16(13-21)20-15-8-6-14(7-9-15)17-5-4-12-23-17/h4-9,12,16,20H,10-11,13H2,1-3H3
InChIKeyBVDHFAAGDZRQCC-UHFFFAOYSA-N
XLogP4.37
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-(4-methoxyanilino)pyrrolidine-1-carboxylate
CID 11150503
tert-butyl 3-[[4-(furan-2-yl)anilino]methyl]piperidine-1-carboxylate
CID 168526338
tert-butyl (3S)-3-(4-fluoroanilino)pyrrolidine-1-carboxylate
CID 97056055
tert-butyl (3S)-3-(4-nitroanilino)pyrrolidine-1-carboxylate;sulfane
CID 162112445
tert-butyl 4-[cyclopropyl-[4-(furan-2-yl)benzoyl]amino]piperidine-1-carboxylate
CID 118300921
tert-butyl 3-[4-(furan-2-yl)phenoxy]piperidine-1-carboxylate
CID 168528418
tert-butyl (3R)-3-anilinopiperidine-1-carboxylate
CID 34179257
tert-butyl 3-[4-(2,2-dicyanoethenylamino)anilino]pyrrolidine-1-carboxylate
CID 168543800
tert-butyl 3-(4-butan-2-ylanilino)pyrrolidine-1-carboxylate
CID 103820851
tert-butyl (3R)-3-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]pyrrolidine-1-carboxylate
CID 96538034
[4-(furan-2-yl)phenyl]-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone
CID 25275365
tert-butyl 3-(3-hydroxy-4-methylanilino)pyrrolidine-1-carboxylate
CID 107700672

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[4-(furan-2-yl)anilino]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[4-(furan-2-yl)anilino]pyrrolidine-1-carboxylate (CID 168527057) is tert-butyl 3-[4-(furan-2-yl)anilino]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[4-(furan-2-yl)anilino]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[4-(furan-2-yl)anilino]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Nc2ccc(-c3ccco3)cc2)C1.
What is the InChIKey of tert-butyl 3-[4-(furan-2-yl)anilino]pyrrolidine-1-carboxylate?
The InChIKey is BVDHFAAGDZRQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-19(2,3)24-18(22)21-11-10-16(13-21)20-15-8-6-14(7-9-15)17-5-4-12-23-17/h4-9,12,16,20H,10-11,13H2,1-3H3.
What are the key properties of tert-butyl 3-[4-(furan-2-yl)anilino]pyrrolidine-1-carboxylate?
tert-butyl 3-[4-(furan-2-yl)anilino]pyrrolidine-1-carboxylate has a molecular weight of 328.41 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[4-(furan-2-yl)anilino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 168527057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).