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

C23H26N2O3 — CID 2641814

IUPAC(3R)-1-(4-ethoxyphenyl)-5-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide
SMILESCCOc1ccc(N2C[C@H](C(=O)N[C@@H]3CCCc4ccccc43)CC2=O)cc1
InChIInChI=1S/C23H26N2O3/c1-2-28-19-12-10-18(11-13-19)25-15-17(14-22(25)26)23(27)24-21-9-5-7-16-6-3-4-8-20(16)21/h3-4,6,8,10-13,17,21H,2,5,7,9,14-15H2,1H3,(H,24,27)/t17-,21-/m1/s1
InChIKeyNSAFJWZCOYKWLD-DYESRHJHSA-N
MW378.47 g/mol
LogP3.63
Rot. Bonds5

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

(3R)-1-(4-ethoxyphenyl)-5-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide (PubChem CID 2641814) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is (3R)-1-(4-ethoxyphenyl)-5-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-ethoxyphenyl)-5-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide
PubChem CID2641814
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name(3R)-1-(4-ethoxyphenyl)-5-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide
SMILESCCOc1ccc(N2C[C@H](C(=O)N[C@@H]3CCCc4ccccc43)CC2=O)cc1
InChIInChI=1S/C23H26N2O3/c1-2-28-19-12-10-18(11-13-19)25-15-17(14-22(25)26)23(27)24-21-9-5-7-16-6-3-4-8-20(16)21/h3-4,6,8,10-13,17,21H,2,5,7,9,14-15H2,1H3,(H,24,27)/t17-,21-/m1/s1
InChIKeyNSAFJWZCOYKWLD-DYESRHJHSA-N
XLogP3.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-5-oxo-1-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide
CID 93017475
N-(3,4-dihydro-2H-chromen-4-yl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18193053
(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
(3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide
CID 2555251
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7871206
N-(4-ethoxyphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3693269
N-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46109790
(3S)-1-(4-ethoxyphenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1085389
2-[(R)-[2-(4-ethoxyanilino)-2-oxoethyl]sulfinyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 11890819
1-[3-(difluoromethoxy)phenyl]-N-(2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-3-carboxamide
CID 166541415
(3S)-1-(4-ethoxyphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 6549615
(3R)-1-(4-ethoxyphenyl)-N-naphthalen-2-yl-5-oxopyrrolidine-3-carboxamide
CID 1088301

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-ethoxyphenyl)-5-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-ethoxyphenyl)-5-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide (CID 2641814) is (3R)-1-(4-ethoxyphenyl)-5-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-ethoxyphenyl)-5-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-ethoxyphenyl)-5-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide is CCOc1ccc(N2C[C@H](C(=O)N[C@@H]3CCCc4ccccc43)CC2=O)cc1.
What is the InChIKey of (3R)-1-(4-ethoxyphenyl)-5-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide?
The InChIKey is NSAFJWZCOYKWLD-DYESRHJHSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-2-28-19-12-10-18(11-13-19)25-15-17(14-22(25)26)23(27)24-21-9-5-7-16-6-3-4-8-20(16)21/h3-4,6,8,10-13,17,21H,2,5,7,9,14-15H2,1H3,(H,24,27)/t17-,21-/m1/s1.
What are the key properties of (3R)-1-(4-ethoxyphenyl)-5-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide?
(3R)-1-(4-ethoxyphenyl)-5-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-ethoxyphenyl)-5-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 2641814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).