(2S)-N-[3-(1H-indol-2-yl)phenyl]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide

C22H23N3O3 — CID 42239955

IUPAC(2S)-N-[3-(1H-indol-2-yl)phenyl]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
SMILESCOCC(=O)N1CCC[C@H]1C(=O)Nc1cccc(-c2cc3ccccc3[nH]2)c1
InChIInChI=1S/C22H23N3O3/c1-28-14-21(26)25-11-5-10-20(25)22(27)23-17-8-4-7-15(12-17)19-13-16-6-2-3-9-18(16)24-19/h2-4,6-9,12-13,20,24H,5,10-11,14H2,1H3,(H,23,27)/t20-/m0/s1
InChIKeyNJOKUKNRLNVMKX-FQEVSTJZSA-N
MW377.44 g/mol
LogP3.41
Rot. Bonds5

About (2S)-N-[3-(1H-indol-2-yl)phenyl]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide

(2S)-N-[3-(1H-indol-2-yl)phenyl]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide (PubChem CID 42239955) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is (2S)-N-[3-(1H-indol-2-yl)phenyl]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-(1H-indol-2-yl)phenyl]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
PubChem CID42239955
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name(2S)-N-[3-(1H-indol-2-yl)phenyl]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
SMILESCOCC(=O)N1CCC[C@H]1C(=O)Nc1cccc(-c2cc3ccccc3[nH]2)c1
InChIInChI=1S/C22H23N3O3/c1-28-14-21(26)25-11-5-10-20(25)22(27)23-17-8-4-7-15(12-17)19-13-16-6-2-3-9-18(16)24-19/h2-4,6-9,12-13,20,24H,5,10-11,14H2,1H3,(H,23,27)/t20-/m0/s1
InChIKeyNJOKUKNRLNVMKX-FQEVSTJZSA-N
XLogP3.41
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[3-(1H-indol-2-yl)phenyl]-1-propanoylpyrrolidine-2-carboxamide
CID 26331142
methyl 4-[[3-(1H-indol-2-yl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 72859425
(2S)-1-(cyclopropanecarbonyl)-N-[4-(1H-indol-2-yl)phenyl]pyrrolidine-2-carboxamide
CID 42241508
(3R)-N-[3-(1H-indol-2-yl)phenyl]-1-(2-methylsulfanylacetyl)piperidine-3-carboxamide
CID 26318167
N-[3-(1H-indol-2-yl)phenyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 45197737
N-[4-(3-fluorophenyl)phenyl]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
CID 45212909
(2R)-N-[4-(3-fluorophenyl)phenyl]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
CID 25376485
(3R)-1-(cyclopentanecarbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide
CID 26401813
N-[3-(1H-indol-2-yl)phenyl]-1-(3,3,3-trifluoropropanoyl)piperidine-3-carboxamide
CID 45243703
(3R)-1-but-2-ynoyl-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide
CID 25492836
(2S)-1-(2-methoxyacetyl)-N-[4-[2-[4-[[(2S)-1-(2-methoxyacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 91589177
(3S)-N-[3-(1H-indol-2-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide
CID 25302072

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(1H-indol-2-yl)phenyl]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[3-(1H-indol-2-yl)phenyl]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide (CID 42239955) is (2S)-N-[3-(1H-indol-2-yl)phenyl]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-(1H-indol-2-yl)phenyl]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[3-(1H-indol-2-yl)phenyl]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide is COCC(=O)N1CCC[C@H]1C(=O)Nc1cccc(-c2cc3ccccc3[nH]2)c1.
What is the InChIKey of (2S)-N-[3-(1H-indol-2-yl)phenyl]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide?
The InChIKey is NJOKUKNRLNVMKX-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-28-14-21(26)25-11-5-10-20(25)22(27)23-17-8-4-7-15(12-17)19-13-16-6-2-3-9-18(16)24-19/h2-4,6-9,12-13,20,24H,5,10-11,14H2,1H3,(H,23,27)/t20-/m0/s1.
What are the key properties of (2S)-N-[3-(1H-indol-2-yl)phenyl]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide?
(2S)-N-[3-(1H-indol-2-yl)phenyl]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(1H-indol-2-yl)phenyl]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 42239955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).