N-[(2S)-4-methyl-1-oxo-1-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-ylpentan-2-yl]acetamide

C20H28N2O2 — CID 122138775

IUPACN-[(2S)-4-methyl-1-oxo-1-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-ylpentan-2-yl]acetamide
SMILESCC(=O)N[C@@H](CC(C)C)C(=O)N1CCC2(Cc3ccccc3C2)C1
InChIInChI=1S/C20H28N2O2/c1-14(2)10-18(21-15(3)23)19(24)22-9-8-20(13-22)11-16-6-4-5-7-17(16)12-20/h4-7,14,18H,8-13H2,1-3H3,(H,21,23)/t18-/m0/s1
InChIKeyOYODVXFFNJLZPG-SFHVURJKSA-N
MW328.46 g/mol
LogP2.55
Rot. Bonds4

About N-[(2S)-4-methyl-1-oxo-1-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-ylpentan-2-yl]acetamide

N-[(2S)-4-methyl-1-oxo-1-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-ylpentan-2-yl]acetamide (PubChem CID 122138775) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[(2S)-4-methyl-1-oxo-1-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-ylpentan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-4-methyl-1-oxo-1-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-ylpentan-2-yl]acetamide
PubChem CID122138775
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN-[(2S)-4-methyl-1-oxo-1-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-ylpentan-2-yl]acetamide
SMILESCC(=O)N[C@@H](CC(C)C)C(=O)N1CCC2(Cc3ccccc3C2)C1
InChIInChI=1S/C20H28N2O2/c1-14(2)10-18(21-15(3)23)19(24)22-9-8-20(13-22)11-16-6-4-5-7-17(16)12-20/h4-7,14,18H,8-13H2,1-3H3,(H,21,23)/t18-/m0/s1
InChIKeyOYODVXFFNJLZPG-SFHVURJKSA-N
XLogP2.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-methyl-1-oxo-1-(3-oxo-4-phenylpiperazin-1-yl)pentan-2-yl]acetamide
CID 78087226
N-[(2S)-1-(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]acetamide
CID 165427245
N-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 120807781
N-[2-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-oxoethyl]-2-[[2-[(2-amino-3-phenylpropanoyl)amino]acetyl]amino]-4-methylpentanamide
CID 137433158
N-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide;hydrochloride
CID 120807780
N-[(2S)-1-oxo-1-[8-(3-phenylprop-2-ynoyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-thiophen-2-ylpropan-2-yl]acetamide
CID 74224878
methyl 4-methyl-2-[[8-(3-phenylprop-2-ynoyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]amino]pentanoate
CID 3718479
N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-phenylacetamide
CID 110351358
(2R)-N-[(2R)-1-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-6-amino-1-oxohexan-2-yl]-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide
CID 137433010
N-[(2S)-4-methyl-1-(2-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-6-yl)-1-oxopentan-2-yl]acetamide
CID 146046597
N-[(2S)-1-[8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]acetamide
CID 74225151
1-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]-3-hydroxypyrrolidine-3-carboxylic acid
CID 165453997

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-methyl-1-oxo-1-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-ylpentan-2-yl]acetamide?
The IUPAC name of N-[(2S)-4-methyl-1-oxo-1-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-ylpentan-2-yl]acetamide (CID 122138775) is N-[(2S)-4-methyl-1-oxo-1-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-ylpentan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-4-methyl-1-oxo-1-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-ylpentan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-4-methyl-1-oxo-1-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-ylpentan-2-yl]acetamide is CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC2(Cc3ccccc3C2)C1.
What is the InChIKey of N-[(2S)-4-methyl-1-oxo-1-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-ylpentan-2-yl]acetamide?
The InChIKey is OYODVXFFNJLZPG-SFHVURJKSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-14(2)10-18(21-15(3)23)19(24)22-9-8-20(13-22)11-16-6-4-5-7-17(16)12-20/h4-7,14,18H,8-13H2,1-3H3,(H,21,23)/t18-/m0/s1.
What are the key properties of N-[(2S)-4-methyl-1-oxo-1-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-ylpentan-2-yl]acetamide?
N-[(2S)-4-methyl-1-oxo-1-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-ylpentan-2-yl]acetamide has a molecular weight of 328.46 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-methyl-1-oxo-1-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-ylpentan-2-yl]acetamide is sourced from PubChem (CID 122138775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).