5-[[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylamino]methyl]furan-3-carboxamide

C18H21N3O3 — CID 167777508

IUPAC5-[[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylamino]methyl]furan-3-carboxamide
SMILESCC(NCc1cc(C(N)=O)co1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C18H21N3O3/c1-12(20-10-16-9-14(11-24-16)18(19)23)13-4-2-5-15(8-13)21-7-3-6-17(21)22/h2,4-5,8-9,11-12,20H,3,6-7,10H2,1H3,(H2,19,23)
InChIKeyMCCWLYYLKOZFLP-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.36
Rot. Bonds6

About 5-[[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylamino]methyl]furan-3-carboxamide

5-[[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylamino]methyl]furan-3-carboxamide (PubChem CID 167777508) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 5-[[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylamino]methyl]furan-3-carboxamide.

Molecular Properties

Compound Name5-[[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylamino]methyl]furan-3-carboxamide
PubChem CID167777508
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name5-[[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylamino]methyl]furan-3-carboxamide
SMILESCC(NCc1cc(C(N)=O)co1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C18H21N3O3/c1-12(20-10-16-9-14(11-24-16)18(19)23)13-4-2-5-15(8-13)21-7-3-6-17(21)22/h2,4-5,8-9,11-12,20H,3,6-7,10H2,1H3,(H2,19,23)
InChIKeyMCCWLYYLKOZFLP-UHFFFAOYSA-N
XLogP2.36
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[1-[(1-methylpyrazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one
CID 60614108
1-[3-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one
CID 75471690
2-amino-2-methyl-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide;hydrochloride
CID 119307539
1-[3-[(1R)-1-(2,3-dihydro-1-benzofuran-5-ylmethylamino)ethyl]phenyl]pyrrolidin-2-one
CID 95149643
1-[3-[(1S)-1-(cyclohexylmethylamino)ethyl]phenyl]pyrrolidin-2-one
CID 124692957
2-amino-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-2-phenylacetamide
CID 119307558
(2S)-2-amino-4-methyl-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]pentanamide;hydrochloride
CID 119756026
3-(2-aminophenyl)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide
CID 120609962
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
1-amino-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119755966
(2S)-N-[(1R)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]oxolane-2-carboxamide
CID 95242893

Frequently Asked Questions

What is the IUPAC name of 5-[[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylamino]methyl]furan-3-carboxamide?
The IUPAC name of 5-[[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylamino]methyl]furan-3-carboxamide (CID 167777508) is 5-[[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylamino]methyl]furan-3-carboxamide.
What is the SMILES notation for 5-[[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylamino]methyl]furan-3-carboxamide?
The canonical SMILES for 5-[[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylamino]methyl]furan-3-carboxamide is CC(NCc1cc(C(N)=O)co1)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of 5-[[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylamino]methyl]furan-3-carboxamide?
The InChIKey is MCCWLYYLKOZFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12(20-10-16-9-14(11-24-16)18(19)23)13-4-2-5-15(8-13)21-7-3-6-17(21)22/h2,4-5,8-9,11-12,20H,3,6-7,10H2,1H3,(H2,19,23).
What are the key properties of 5-[[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylamino]methyl]furan-3-carboxamide?
5-[[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylamino]methyl]furan-3-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylamino]methyl]furan-3-carboxamide is sourced from PubChem (CID 167777508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).