ethyl 2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate;N-[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]-3-methyl-2-(2-methylprop-1-enyl)benzamide;methane

C48H60N2O5 — CID 158535712

IUPACethyl 2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate;N-[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]-3-methyl-2-(2-methylprop-1-enyl)benzamide;methane
SMILESC.C.CC(C)=Cc1c(C)cccc1C(=O)NC1(CO)Cc2ccccc2C1.CCOC(=O)C1(NC(=O)c2cccc(C)c2C=C(C)C)Cc2ccccc2C1
InChIInChI=1S/C24H27NO3.C22H25NO2.2CH4/c1-5-28-23(27)24(14-18-10-6-7-11-19(18)15-24)25-22(26)20-12-8-9-17(4)21(20)13-16(2)3;1-15(2)11-20-16(3)7-6-10-19(20)21(25)23-22(14-24)12-17-8-4-5-9-18(17)13-22;;/h6-13H,5,14-15H2,1-4H3,(H,25,26);4-11,24H,12-14H2,1-3H3,(H,23,25);2*1H4
InChIKeyHNXOAQYCQCQASE-UHFFFAOYSA-N
MW745.02 g/mol
LogP9.20
Rot. Bonds9

About ethyl 2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate;N-[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]-3-methyl-2-(2-methylprop-1-enyl)benzamide;methane

ethyl 2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate;N-[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]-3-methyl-2-(2-methylprop-1-enyl)benzamide;methane (PubChem CID 158535712) has the molecular formula C48H60N2O5 and a molecular weight of 745.02 g/mol. Its IUPAC name is ethyl 2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate;N-[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]-3-methyl-2-(2-methylprop-1-enyl)benzamide;methane.

Molecular Properties

Compound Nameethyl 2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate;N-[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]-3-methyl-2-(2-methylprop-1-enyl)benzamide;methane
PubChem CID158535712
Molecular FormulaC48H60N2O5
Molecular Weight745.02 g/mol
Exact Mass744.45
IUPAC Nameethyl 2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate;N-[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]-3-methyl-2-(2-methylprop-1-enyl)benzamide;methane
SMILESC.C.CC(C)=Cc1c(C)cccc1C(=O)NC1(CO)Cc2ccccc2C1.CCOC(=O)C1(NC(=O)c2cccc(C)c2C=C(C)C)Cc2ccccc2C1
InChIInChI=1S/C24H27NO3.C22H25NO2.2CH4/c1-5-28-23(27)24(14-18-10-6-7-11-19(18)15-24)25-22(26)20-12-8-9-17(4)21(20)13-16(2)3;1-15(2)11-20-16(3)7-6-10-19(20)21(25)23-22(14-24)12-17-8-4-5-9-18(17)13-22;;/h6-13H,5,14-15H2,1-4H3,(H,25,26);4-11,24H,12-14H2,1-3H3,(H,23,25);2*1H4
InChIKeyHNXOAQYCQCQASE-UHFFFAOYSA-N
XLogP9.20
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.02
LogP ≤ 59.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate;N-[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]-3-methyl-2-(2-methylprop-1-enyl)benzamide;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate;N-[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]-3-methyl-2-(2-methylprop-1-enyl)benzamide;methane?
The IUPAC name of ethyl 2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate;N-[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]-3-methyl-2-(2-methylprop-1-enyl)benzamide;methane (CID 158535712) is ethyl 2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate;N-[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]-3-methyl-2-(2-methylprop-1-enyl)benzamide;methane.
What is the SMILES notation for ethyl 2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate;N-[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]-3-methyl-2-(2-methylprop-1-enyl)benzamide;methane?
The canonical SMILES for ethyl 2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate;N-[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]-3-methyl-2-(2-methylprop-1-enyl)benzamide;methane is C.C.CC(C)=Cc1c(C)cccc1C(=O)NC1(CO)Cc2ccccc2C1.CCOC(=O)C1(NC(=O)c2cccc(C)c2C=C(C)C)Cc2ccccc2C1.
What is the InChIKey of ethyl 2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate;N-[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]-3-methyl-2-(2-methylprop-1-enyl)benzamide;methane?
The InChIKey is HNXOAQYCQCQASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3.C22H25NO2.2CH4/c1-5-28-23(27)24(14-18-10-6-7-11-19(18)15-24)25-22(26)20-12-8-9-17(4)21(20)13-16(2)3;1-15(2)11-20-16(3)7-6-10-19(20)21(25)23-22(14-24)12-17-8-4-5-9-18(17)13-22;;/h6-13H,5,14-15H2,1-4H3,(H,25,26);4-11,24H,12-14H2,1-3H3,(H,23,25);2*1H4.
What are the key properties of ethyl 2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate;N-[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]-3-methyl-2-(2-methylprop-1-enyl)benzamide;methane?
ethyl 2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate;N-[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]-3-methyl-2-(2-methylprop-1-enyl)benzamide;methane has a molecular weight of 745.02 g/mol, XLogP of 9.20, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate;N-[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]-3-methyl-2-(2-methylprop-1-enyl)benzamide;methane is sourced from PubChem (CID 158535712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).