(3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide

C22H24N2O3 — CID 2555251

IUPAC(3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide
SMILESCOc1ccccc1N1C[C@@H](C(=O)N[C@H]2CCCc3ccccc32)CC1=O
InChIInChI=1S/C22H24N2O3/c1-27-20-12-5-4-11-19(20)24-14-16(13-21(24)25)22(26)23-18-10-6-8-15-7-2-3-9-17(15)18/h2-5,7,9,11-12,16,18H,6,8,10,13-14H2,1H3,(H,23,26)/t16-,18-/m0/s1
InChIKeyDEXHKBACKPDYLT-WMZOPIPTSA-N
MW364.44 g/mol
LogP3.24
Rot. Bonds4

About (3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide

(3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide (PubChem CID 2555251) has the molecular formula C22H24N2O3 and a molecular weight of 364.44 g/mol. Its IUPAC name is (3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide
PubChem CID2555251
Molecular FormulaC22H24N2O3
Molecular Weight364.44 g/mol
Exact Mass364.18
IUPAC Name(3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide
SMILESCOc1ccccc1N1C[C@@H](C(=O)N[C@H]2CCCc3ccccc32)CC1=O
InChIInChI=1S/C22H24N2O3/c1-27-20-12-5-4-11-19(20)24-14-16(13-21(24)25)22(26)23-18-10-6-8-15-7-2-3-9-17(15)18/h2-5,7,9,11-12,16,18H,6,8,10,13-14H2,1H3,(H,23,26)/t16-,18-/m0/s1
InChIKeyDEXHKBACKPDYLT-WMZOPIPTSA-N
XLogP3.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7998739
(3R)-5-oxo-1-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide
CID 93017475
(3R)-1-(4-ethoxyphenyl)-5-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide
CID 2641814
1-(2-methoxyphenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119453996
(3S)-1-(4-methoxyphenyl)-5-oxo-N-[(2S)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl]pyrrolidine-3-carboxamide
CID 41075984
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
1-(2-methoxy-5-methylphenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 55602158
(3S)-5-oxo-1-(2-phenylethyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide
CID 7919696
N-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51159017
(3S)-N-(4-iodophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1260458
N-(4-iodophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964415
(3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9004996

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide (CID 2555251) is (3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide is COc1ccccc1N1C[C@@H](C(=O)N[C@H]2CCCc3ccccc32)CC1=O.
What is the InChIKey of (3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide?
The InChIKey is DEXHKBACKPDYLT-WMZOPIPTSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-27-20-12-5-4-11-19(20)24-14-16(13-21(24)25)22(26)23-18-10-6-8-15-7-2-3-9-17(15)18/h2-5,7,9,11-12,16,18H,6,8,10,13-14H2,1H3,(H,23,26)/t16-,18-/m0/s1.
What are the key properties of (3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide?
(3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide has a molecular weight of 364.44 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 2555251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).