N-[1-cyclohexyl-2-[[2-methyl-2-(methylcarbamoyl)-1,3-dihydroinden-5-yl]amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

C24H31N5O4 — CID 178008200

IUPACN-[1-cyclohexyl-2-[[2-methyl-2-(methylcarbamoyl)-1,3-dihydroinden-5-yl]amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCNC(=O)C1(C)Cc2ccc(NC(=O)C(NC(=O)c3nonc3C)C3CCCCC3)cc2C1
InChIInChI=1S/C24H31N5O4/c1-14-19(29-33-28-14)21(30)27-20(15-7-5-4-6-8-15)22(31)26-18-10-9-16-12-24(2,23(32)25-3)13-17(16)11-18/h9-11,15,20H,4-8,12-13H2,1-3H3,(H,25,32)(H,26,31)(H,27,30)
InChIKeyVRFWVHDAILNUBS-UHFFFAOYSA-N
MW453.54 g/mol
LogP2.55
Rot. Bonds6

About N-[1-cyclohexyl-2-[[2-methyl-2-(methylcarbamoyl)-1,3-dihydroinden-5-yl]amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

N-[1-cyclohexyl-2-[[2-methyl-2-(methylcarbamoyl)-1,3-dihydroinden-5-yl]amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 178008200) has the molecular formula C24H31N5O4 and a molecular weight of 453.54 g/mol. Its IUPAC name is N-[1-cyclohexyl-2-[[2-methyl-2-(methylcarbamoyl)-1,3-dihydroinden-5-yl]amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-cyclohexyl-2-[[2-methyl-2-(methylcarbamoyl)-1,3-dihydroinden-5-yl]amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID178008200
Molecular FormulaC24H31N5O4
Molecular Weight453.54 g/mol
Exact Mass453.24
IUPAC NameN-[1-cyclohexyl-2-[[2-methyl-2-(methylcarbamoyl)-1,3-dihydroinden-5-yl]amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCNC(=O)C1(C)Cc2ccc(NC(=O)C(NC(=O)c3nonc3C)C3CCCCC3)cc2C1
InChIInChI=1S/C24H31N5O4/c1-14-19(29-33-28-14)21(30)27-20(15-7-5-4-6-8-15)22(31)26-18-10-9-16-12-24(2,23(32)25-3)13-17(16)11-18/h9-11,15,20H,4-8,12-13H2,1-3H3,(H,25,32)(H,26,31)(H,27,30)
InChIKeyVRFWVHDAILNUBS-UHFFFAOYSA-N
XLogP2.55
TPSA126.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[1-cyclohexyl-2-[[2-methyl-2-(methylcarbamoyl)-1,3-dihydroinden-5-yl]amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide with MolForge

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Related Compounds

N-[1-cyclohexyl-2-[[2-methyl-2-(methylcarbamoyl)-1,3-dihydroinden-5-yl]amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide;ethane
CID 178008199
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
2-acetamido-2-cyclopentyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 17448058
6-[[2-cyclooctyl-2-[(3-methyl-1,2-oxazole-4-carbonyl)amino]acetyl]amino]spiro[2H-indole-3,4'-oxane]-1-carboxylic acid
CID 166666284
N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(4-methylphenyl)furan-2-carboxamide
CID 74960677
N-[(1S)-2-[[6-(3,5-dimethyl-2H-pyrrol-4-yl)-3-pyridinyl]amino]-1-(5-fluorospiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl)-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 170021620
N-[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-5-methylpyridine-3-carboxamide
CID 76807316
N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 156904253
N-[1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-(difluoromethyl)-5-methylpyrazole-3-carboxamide
CID 146524617
N-[(1S,2S)-2-hydroxycyclooctyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 154563876
4-methyl-N-(3-propan-2-ylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 71931243
2-methoxyethyl N-[(1S)-1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]carbamate
CID 146524623

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-2-[[2-methyl-2-(methylcarbamoyl)-1,3-dihydroinden-5-yl]amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-[1-cyclohexyl-2-[[2-methyl-2-(methylcarbamoyl)-1,3-dihydroinden-5-yl]amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (CID 178008200) is N-[1-cyclohexyl-2-[[2-methyl-2-(methylcarbamoyl)-1,3-dihydroinden-5-yl]amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[1-cyclohexyl-2-[[2-methyl-2-(methylcarbamoyl)-1,3-dihydroinden-5-yl]amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-[1-cyclohexyl-2-[[2-methyl-2-(methylcarbamoyl)-1,3-dihydroinden-5-yl]amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is CNC(=O)C1(C)Cc2ccc(NC(=O)C(NC(=O)c3nonc3C)C3CCCCC3)cc2C1.
What is the InChIKey of N-[1-cyclohexyl-2-[[2-methyl-2-(methylcarbamoyl)-1,3-dihydroinden-5-yl]amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is VRFWVHDAILNUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O4/c1-14-19(29-33-28-14)21(30)27-20(15-7-5-4-6-8-15)22(31)26-18-10-9-16-12-24(2,23(32)25-3)13-17(16)11-18/h9-11,15,20H,4-8,12-13H2,1-3H3,(H,25,32)(H,26,31)(H,27,30).
What are the key properties of N-[1-cyclohexyl-2-[[2-methyl-2-(methylcarbamoyl)-1,3-dihydroinden-5-yl]amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
N-[1-cyclohexyl-2-[[2-methyl-2-(methylcarbamoyl)-1,3-dihydroinden-5-yl]amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 453.54 g/mol, XLogP of 2.55, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexyl-2-[[2-methyl-2-(methylcarbamoyl)-1,3-dihydroinden-5-yl]amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 178008200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).