methyl 2-(1H-indole-2-carbonylamino)-1,3-dihydroindene-2-carboxylate

C20H18N2O3 — CID 24967591

IUPACmethyl 2-(1H-indole-2-carbonylamino)-1,3-dihydroindene-2-carboxylate
SMILESCOC(=O)C1(NC(=O)c2cc3ccccc3[nH]2)Cc2ccccc2C1
InChIInChI=1S/C20H18N2O3/c1-25-19(24)20(11-14-7-2-3-8-15(14)12-20)22-18(23)17-10-13-6-4-5-9-16(13)21-17/h2-10,21H,11-12H2,1H3,(H,22,23)
InChIKeyIEVUAJJPDJRYOG-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.61
Rot. Bonds3

About methyl 2-(1H-indole-2-carbonylamino)-1,3-dihydroindene-2-carboxylate

methyl 2-(1H-indole-2-carbonylamino)-1,3-dihydroindene-2-carboxylate (PubChem CID 24967591) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is methyl 2-(1H-indole-2-carbonylamino)-1,3-dihydroindene-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1H-indole-2-carbonylamino)-1,3-dihydroindene-2-carboxylate
PubChem CID24967591
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Namemethyl 2-(1H-indole-2-carbonylamino)-1,3-dihydroindene-2-carboxylate
SMILESCOC(=O)C1(NC(=O)c2cc3ccccc3[nH]2)Cc2ccccc2C1
InChIInChI=1S/C20H18N2O3/c1-25-19(24)20(11-14-7-2-3-8-15(14)12-20)22-18(23)17-10-13-6-4-5-9-16(13)21-17/h2-10,21H,11-12H2,1H3,(H,22,23)
InChIKeyIEVUAJJPDJRYOG-UHFFFAOYSA-N
XLogP2.61
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (5R,7R)-3-(1H-indole-2-carbonylamino)adamantane-1-carboxylate
CID 98207621
N-(4-methylpiperidin-4-yl)-1H-indole-2-carboxamide
CID 114696538
3-(1H-indole-2-carbonylamino)oxolane-3-carboxylic acid
CID 64890184
N-[(1-methoxycyclobutyl)methyl]-1H-indole-2-carboxamide
CID 103993280
N-(cyanomethyl)-1H-indole-2-carboxamide
CID 61260784
2,2-dimethyl-1,3-dihydroindene-5-carbonitrile;1H-indole-2-carboxamide
CID 143751482
potassium N-oxido-1H-indole-2-carboxamide
CID 23661896
methyl 2-[[3-[(4-fluorobenzoyl)amino]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylate
CID 142764640
N-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indole-2-carboxamide
CID 115587298
ethane;1H-indole-2-carboxylic acid
CID 91052830
N-[(2-methoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 9270219
3-(1H-indole-2-carbonylamino)-2-methoxypropanoic acid
CID 114144333

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1H-indole-2-carbonylamino)-1,3-dihydroindene-2-carboxylate?
The IUPAC name of methyl 2-(1H-indole-2-carbonylamino)-1,3-dihydroindene-2-carboxylate (CID 24967591) is methyl 2-(1H-indole-2-carbonylamino)-1,3-dihydroindene-2-carboxylate.
What is the SMILES notation for methyl 2-(1H-indole-2-carbonylamino)-1,3-dihydroindene-2-carboxylate?
The canonical SMILES for methyl 2-(1H-indole-2-carbonylamino)-1,3-dihydroindene-2-carboxylate is COC(=O)C1(NC(=O)c2cc3ccccc3[nH]2)Cc2ccccc2C1.
What is the InChIKey of methyl 2-(1H-indole-2-carbonylamino)-1,3-dihydroindene-2-carboxylate?
The InChIKey is IEVUAJJPDJRYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-25-19(24)20(11-14-7-2-3-8-15(14)12-20)22-18(23)17-10-13-6-4-5-9-16(13)21-17/h2-10,21H,11-12H2,1H3,(H,22,23).
What are the key properties of methyl 2-(1H-indole-2-carbonylamino)-1,3-dihydroindene-2-carboxylate?
methyl 2-(1H-indole-2-carbonylamino)-1,3-dihydroindene-2-carboxylate has a molecular weight of 334.38 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1H-indole-2-carbonylamino)-1,3-dihydroindene-2-carboxylate is sourced from PubChem (CID 24967591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).