5-[(2-acetamido-2-cyclohexylacetyl)amino]-N-methyl-2-(7-oxo-6,8-diazaspiro[3.5]nonan-8-yl)-1,3-dihydroindene-2-carboxamide

C28H39N5O4 — CID 178008373

IUPAC5-[(2-acetamido-2-cyclohexylacetyl)amino]-N-methyl-2-(7-oxo-6,8-diazaspiro[3.5]nonan-8-yl)-1,3-dihydroindene-2-carboxamide
SMILESCNC(=O)C1(N2CC3(CCC3)CNC2=O)Cc2ccc(NC(=O)C(NC(C)=O)C3CCCCC3)cc2C1
InChIInChI=1S/C28H39N5O4/c1-18(34)31-23(19-7-4-3-5-8-19)24(35)32-22-10-9-20-14-28(25(36)29-2,15-21(20)13-22)33-17-27(11-6-12-27)16-30-26(33)37/h9-10,13,19,23H,3-8,11-12,14-17H2,1-2H3,(H,29,36)(H,30,37)(H,31,34)(H,32,35)
InChIKeyFXIFAGZYIMFRQG-UHFFFAOYSA-N
MW509.65 g/mol
LogP2.49
Rot. Bonds6

About 5-[(2-acetamido-2-cyclohexylacetyl)amino]-N-methyl-2-(7-oxo-6,8-diazaspiro[3.5]nonan-8-yl)-1,3-dihydroindene-2-carboxamide

5-[(2-acetamido-2-cyclohexylacetyl)amino]-N-methyl-2-(7-oxo-6,8-diazaspiro[3.5]nonan-8-yl)-1,3-dihydroindene-2-carboxamide (PubChem CID 178008373) has the molecular formula C28H39N5O4 and a molecular weight of 509.65 g/mol. Its IUPAC name is 5-[(2-acetamido-2-cyclohexylacetyl)amino]-N-methyl-2-(7-oxo-6,8-diazaspiro[3.5]nonan-8-yl)-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound Name5-[(2-acetamido-2-cyclohexylacetyl)amino]-N-methyl-2-(7-oxo-6,8-diazaspiro[3.5]nonan-8-yl)-1,3-dihydroindene-2-carboxamide
PubChem CID178008373
Molecular FormulaC28H39N5O4
Molecular Weight509.65 g/mol
Exact Mass509.30
IUPAC Name5-[(2-acetamido-2-cyclohexylacetyl)amino]-N-methyl-2-(7-oxo-6,8-diazaspiro[3.5]nonan-8-yl)-1,3-dihydroindene-2-carboxamide
SMILESCNC(=O)C1(N2CC3(CCC3)CNC2=O)Cc2ccc(NC(=O)C(NC(C)=O)C3CCCCC3)cc2C1
InChIInChI=1S/C28H39N5O4/c1-18(34)31-23(19-7-4-3-5-8-19)24(35)32-22-10-9-20-14-28(25(36)29-2,15-21(20)13-22)33-17-27(11-6-12-27)16-30-26(33)37/h9-10,13,19,23H,3-8,11-12,14-17H2,1-2H3,(H,29,36)(H,30,37)(H,31,34)(H,32,35)
InChIKeyFXIFAGZYIMFRQG-UHFFFAOYSA-N
XLogP2.49
TPSA119.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.65
LogP ≤ 52.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5-[(2-acetamido-2-cyclohexylacetyl)amino]-N-methyl-2-(7-oxo-6,8-diazaspiro[3.5]nonan-8-yl)-1,3-dihydroindene-2-carboxamide with MolForge

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]propanamide
CID 45485640
2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]-N-[(1R)-1-phenylethyl]propanamide
CID 45485677
N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]propanamide
CID 45485687
(2R)-2-(4-acetamidophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-ylacetamide
CID 11519207
(2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(dimethylamino)phenyl]-N-propan-2-ylacetamide
CID 11569672
(2R)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 11577790
(2R)-2-(3-acetamidophenyl)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetamide
CID 11613469
2-(6-acetamido-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-benzyl-N-(1-cyclopropylethyl)acetamide
CID 118956914
N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(methylcarbamoylamino)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
CID 118957416
N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[(3S)-6-(methylcarbamoylamino)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
CID 118957929
1-(3-Ethyl-ureido)-cyclohexanecarboxylic acid indan-5-ylamide
CID 646845
N-(2,3-dihydro-1H-inden-5-yl)-2-{8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}acetamide
CID 2523900

Frequently Asked Questions

What is the IUPAC name of 5-[(2-acetamido-2-cyclohexylacetyl)amino]-N-methyl-2-(7-oxo-6,8-diazaspiro[3.5]nonan-8-yl)-1,3-dihydroindene-2-carboxamide?
The IUPAC name of 5-[(2-acetamido-2-cyclohexylacetyl)amino]-N-methyl-2-(7-oxo-6,8-diazaspiro[3.5]nonan-8-yl)-1,3-dihydroindene-2-carboxamide (CID 178008373) is 5-[(2-acetamido-2-cyclohexylacetyl)amino]-N-methyl-2-(7-oxo-6,8-diazaspiro[3.5]nonan-8-yl)-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for 5-[(2-acetamido-2-cyclohexylacetyl)amino]-N-methyl-2-(7-oxo-6,8-diazaspiro[3.5]nonan-8-yl)-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for 5-[(2-acetamido-2-cyclohexylacetyl)amino]-N-methyl-2-(7-oxo-6,8-diazaspiro[3.5]nonan-8-yl)-1,3-dihydroindene-2-carboxamide is CNC(=O)C1(N2CC3(CCC3)CNC2=O)Cc2ccc(NC(=O)C(NC(C)=O)C3CCCCC3)cc2C1.
What is the InChIKey of 5-[(2-acetamido-2-cyclohexylacetyl)amino]-N-methyl-2-(7-oxo-6,8-diazaspiro[3.5]nonan-8-yl)-1,3-dihydroindene-2-carboxamide?
The InChIKey is FXIFAGZYIMFRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N5O4/c1-18(34)31-23(19-7-4-3-5-8-19)24(35)32-22-10-9-20-14-28(25(36)29-2,15-21(20)13-22)33-17-27(11-6-12-27)16-30-26(33)37/h9-10,13,19,23H,3-8,11-12,14-17H2,1-2H3,(H,29,36)(H,30,37)(H,31,34)(H,32,35).
What are the key properties of 5-[(2-acetamido-2-cyclohexylacetyl)amino]-N-methyl-2-(7-oxo-6,8-diazaspiro[3.5]nonan-8-yl)-1,3-dihydroindene-2-carboxamide?
5-[(2-acetamido-2-cyclohexylacetyl)amino]-N-methyl-2-(7-oxo-6,8-diazaspiro[3.5]nonan-8-yl)-1,3-dihydroindene-2-carboxamide has a molecular weight of 509.65 g/mol, XLogP of 2.49, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-acetamido-2-cyclohexylacetyl)amino]-N-methyl-2-(7-oxo-6,8-diazaspiro[3.5]nonan-8-yl)-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 178008373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).