N-ethyl-2-[1'-[2-(5-methyl-1H-imidazol-4-yl)acetyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide

C21H25N5O3 — CID 157015256

IUPACN-ethyl-2-[1'-[2-(5-methyl-1H-imidazol-4-yl)acetyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
SMILESCCNC(=O)CN1C(=O)C2(CCN(C(=O)Cc3nc[nH]c3C)C2)c2ccccc21
InChIInChI=1S/C21H25N5O3/c1-3-22-18(27)11-26-17-7-5-4-6-15(17)21(20(26)29)8-9-25(12-21)19(28)10-16-14(2)23-13-24-16/h4-7,13H,3,8-12H2,1-2H3,(H,22,27)(H,23,24)
InChIKeyNXSZYFVBPCGKAK-UHFFFAOYSA-N
MW395.46 g/mol
LogP0.91
Rot. Bonds5

About N-ethyl-2-[1'-[2-(5-methyl-1H-imidazol-4-yl)acetyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide

N-ethyl-2-[1'-[2-(5-methyl-1H-imidazol-4-yl)acetyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide (PubChem CID 157015256) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-ethyl-2-[1'-[2-(5-methyl-1H-imidazol-4-yl)acetyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[1'-[2-(5-methyl-1H-imidazol-4-yl)acetyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
PubChem CID157015256
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC NameN-ethyl-2-[1'-[2-(5-methyl-1H-imidazol-4-yl)acetyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
SMILESCCNC(=O)CN1C(=O)C2(CCN(C(=O)Cc3nc[nH]c3C)C2)c2ccccc21
InChIInChI=1S/C21H25N5O3/c1-3-22-18(27)11-26-17-7-5-4-6-15(17)21(20(26)29)8-9-25(12-21)19(28)10-16-14(2)23-13-24-16/h4-7,13H,3,8-12H2,1-2H3,(H,22,27)(H,23,24)
InChIKeyNXSZYFVBPCGKAK-UHFFFAOYSA-N
XLogP0.91
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 53177203
(3S)-N-ethyl-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95104040
2-[(3R)-1'-(2-methylbenzoyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 96581096
2-[1'-(4-methyl-1,3-thiazole-5-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 70717778
2-[2-oxo-1'-(4,4,4-trifluorobutanoyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 70736858
2-[(3R)-2-oxo-1'-(3-pyridin-4-ylpropanoyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 96575863
1'-[2-(4-fluorophenyl)acetyl]-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 134795624
N-[2-[1-(2-methylpropyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]-2-oxoethyl]benzamide
CID 157015540
2-[(3S)-1'-(1-ethylpyrazole-4-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 96581028
2-[1'-(1,3-dimethylpyrazole-4-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 70733083
2-[(3S)-2-oxo-1'-(5-propyl-1,3,4-oxadiazole-2-carbonyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 95557588
1'-butanoyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177130

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1'-[2-(5-methyl-1H-imidazol-4-yl)acetyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[1'-[2-(5-methyl-1H-imidazol-4-yl)acetyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide (CID 157015256) is N-ethyl-2-[1'-[2-(5-methyl-1H-imidazol-4-yl)acetyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[1'-[2-(5-methyl-1H-imidazol-4-yl)acetyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[1'-[2-(5-methyl-1H-imidazol-4-yl)acetyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide is CCNC(=O)CN1C(=O)C2(CCN(C(=O)Cc3nc[nH]c3C)C2)c2ccccc21.
What is the InChIKey of N-ethyl-2-[1'-[2-(5-methyl-1H-imidazol-4-yl)acetyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
The InChIKey is NXSZYFVBPCGKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-3-22-18(27)11-26-17-7-5-4-6-15(17)21(20(26)29)8-9-25(12-21)19(28)10-16-14(2)23-13-24-16/h4-7,13H,3,8-12H2,1-2H3,(H,22,27)(H,23,24).
What are the key properties of N-ethyl-2-[1'-[2-(5-methyl-1H-imidazol-4-yl)acetyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
N-ethyl-2-[1'-[2-(5-methyl-1H-imidazol-4-yl)acetyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide has a molecular weight of 395.46 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1'-[2-(5-methyl-1H-imidazol-4-yl)acetyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide is sourced from PubChem (CID 157015256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).