1-[3-[(1S)-1-[[(1S)-1-(furan-2-yl)-2-methoxyethyl]amino]ethyl]phenyl]pyrrolidin-2-one

C19H24N2O3 — CID 97323252

IUPAC1-[3-[(1S)-1-[[(1S)-1-(furan-2-yl)-2-methoxyethyl]amino]ethyl]phenyl]pyrrolidin-2-one
SMILESCOC[C@H](N[C@@H](C)c1cccc(N2CCCC2=O)c1)c1ccco1
InChIInChI=1S/C19H24N2O3/c1-14(20-17(13-23-2)18-8-5-11-24-18)15-6-3-7-16(12-15)21-10-4-9-19(21)22/h3,5-8,11-12,14,17,20H,4,9-10,13H2,1-2H3/t14-,17-/m0/s1
InChIKeyOCYRQGPEXZITRB-YOEHRIQHSA-N
MW328.41 g/mol
LogP3.44
Rot. Bonds7

About 1-[3-[(1S)-1-[[(1S)-1-(furan-2-yl)-2-methoxyethyl]amino]ethyl]phenyl]pyrrolidin-2-one

1-[3-[(1S)-1-[[(1S)-1-(furan-2-yl)-2-methoxyethyl]amino]ethyl]phenyl]pyrrolidin-2-one (PubChem CID 97323252) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-[3-[(1S)-1-[[(1S)-1-(furan-2-yl)-2-methoxyethyl]amino]ethyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[(1S)-1-[[(1S)-1-(furan-2-yl)-2-methoxyethyl]amino]ethyl]phenyl]pyrrolidin-2-one
PubChem CID97323252
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-[3-[(1S)-1-[[(1S)-1-(furan-2-yl)-2-methoxyethyl]amino]ethyl]phenyl]pyrrolidin-2-one
SMILESCOC[C@H](N[C@@H](C)c1cccc(N2CCCC2=O)c1)c1ccco1
InChIInChI=1S/C19H24N2O3/c1-14(20-17(13-23-2)18-8-5-11-24-18)15-6-3-7-16(12-15)21-10-4-9-19(21)22/h3,5-8,11-12,14,17,20H,4,9-10,13H2,1-2H3/t14-,17-/m0/s1
InChIKeyOCYRQGPEXZITRB-YOEHRIQHSA-N
XLogP3.44
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-[(1S)-1-[[(1S)-1-(furan-2-yl)-2-methoxyethyl]amino]ethyl]phenyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[3-[(1S)-1-(cyclohexylmethylamino)ethyl]phenyl]pyrrolidin-2-one
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CID 75515714
1-[(1R)-1-(furan-2-yl)ethyl]-3-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
CID 94166154
2-(cyclopropylmethylamino)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]acetamide
CID 119755997
1-[3-[1-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]phenyl]pyrrolidin-2-one
CID 126798109
2-methyl-3-(methylamino)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide;hydrochloride
CID 119756000
2-amino-2-methyl-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide;hydrochloride
CID 119307539
5-[[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylamino]methyl]furan-3-carboxamide
CID 167777508
1-[3-(methoxymethyl)phenyl]pyrrolidin-2-one
CID 58826741
2-amino-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-2-phenylacetamide
CID 119307558
1-[3-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one
CID 75471690
(2S)-2-amino-4-methyl-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]pentanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1S)-1-[[(1S)-1-(furan-2-yl)-2-methoxyethyl]amino]ethyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[(1S)-1-[[(1S)-1-(furan-2-yl)-2-methoxyethyl]amino]ethyl]phenyl]pyrrolidin-2-one (CID 97323252) is 1-[3-[(1S)-1-[[(1S)-1-(furan-2-yl)-2-methoxyethyl]amino]ethyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[(1S)-1-[[(1S)-1-(furan-2-yl)-2-methoxyethyl]amino]ethyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[(1S)-1-[[(1S)-1-(furan-2-yl)-2-methoxyethyl]amino]ethyl]phenyl]pyrrolidin-2-one is COC[C@H](N[C@@H](C)c1cccc(N2CCCC2=O)c1)c1ccco1.
What is the InChIKey of 1-[3-[(1S)-1-[[(1S)-1-(furan-2-yl)-2-methoxyethyl]amino]ethyl]phenyl]pyrrolidin-2-one?
The InChIKey is OCYRQGPEXZITRB-YOEHRIQHSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-14(20-17(13-23-2)18-8-5-11-24-18)15-6-3-7-16(12-15)21-10-4-9-19(21)22/h3,5-8,11-12,14,17,20H,4,9-10,13H2,1-2H3/t14-,17-/m0/s1.
What are the key properties of 1-[3-[(1S)-1-[[(1S)-1-(furan-2-yl)-2-methoxyethyl]amino]ethyl]phenyl]pyrrolidin-2-one?
1-[3-[(1S)-1-[[(1S)-1-(furan-2-yl)-2-methoxyethyl]amino]ethyl]phenyl]pyrrolidin-2-one has a molecular weight of 328.41 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1S)-1-[[(1S)-1-(furan-2-yl)-2-methoxyethyl]amino]ethyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 97323252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).