ethyl 2-acetamido-1-pentanoyloxy-1,3-dihydroindene-2-carboxylate

C19H25NO5 — CID 57227775

IUPACethyl 2-acetamido-1-pentanoyloxy-1,3-dihydroindene-2-carboxylate
SMILESCCCCC(=O)OC1c2ccccc2CC1(NC(C)=O)C(=O)OCC
InChIInChI=1S/C19H25NO5/c1-4-6-11-16(22)25-17-15-10-8-7-9-14(15)12-19(17,20-13(3)21)18(23)24-5-2/h7-10,17H,4-6,11-12H2,1-3H3,(H,20,21)
InChIKeyZXEJJKJLUPEVCA-UHFFFAOYSA-N
MW347.41 g/mol
LogP2.46
Rot. Bonds7

About ethyl 2-acetamido-1-pentanoyloxy-1,3-dihydroindene-2-carboxylate

ethyl 2-acetamido-1-pentanoyloxy-1,3-dihydroindene-2-carboxylate (PubChem CID 57227775) has the molecular formula C19H25NO5 and a molecular weight of 347.41 g/mol. Its IUPAC name is ethyl 2-acetamido-1-pentanoyloxy-1,3-dihydroindene-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-acetamido-1-pentanoyloxy-1,3-dihydroindene-2-carboxylate
PubChem CID57227775
Molecular FormulaC19H25NO5
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Nameethyl 2-acetamido-1-pentanoyloxy-1,3-dihydroindene-2-carboxylate
SMILESCCCCC(=O)OC1c2ccccc2CC1(NC(C)=O)C(=O)OCC
InChIInChI=1S/C19H25NO5/c1-4-6-11-16(22)25-17-15-10-8-7-9-14(15)12-19(17,20-13(3)21)18(23)24-5-2/h7-10,17H,4-6,11-12H2,1-3H3,(H,20,21)
InChIKeyZXEJJKJLUPEVCA-UHFFFAOYSA-N
XLogP2.46
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(2,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dihydroindene-2-carboxylate
CID 68669208
ethyl N-(1-acetamidospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-yl)carbamate
CID 21433609
ethyl 1-ethyl-1a,6-dihydro-1H-cyclopropa[a]indene-6a-carboxylate
CID 11379225
diethyl 4-hexyl-1H-naphthalene-2,2-dicarboxylate
CID 15005133
diethyl 9-phenyl-5,7,8,9-tetrahydrobenzo[7]annulene-6,6-dicarboxylate
CID 54763664
ethyl 4-[[3-(2-methoxyphenyl)cyclobutyl]amino]butanoate
CID 64577929
ethyl 2-[[(1R)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]-1,3-dihydroindene-2-carboxylate
CID 59314141
ethyl 4-(1,2,3,4-tetrahydroisoquinoline-1-carbonylamino)butanoate
CID 64575997
ethyl 2-cyano-3-methylidene-1H-indene-2-carboxylate
CID 46850160
butyl 2-(9,10-dihydroanthracen-9-yl)acetate
CID 162412897
trans-ethyl (1S,2R)-1-benzamido-2-(trifluoromethyl)cyclopropane-1-carboxylate
CID 70700365
ethyl 2-phenyl-1,3-dihydroindene-2-carboxylate
CID 118559917

Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetamido-1-pentanoyloxy-1,3-dihydroindene-2-carboxylate?
The IUPAC name of ethyl 2-acetamido-1-pentanoyloxy-1,3-dihydroindene-2-carboxylate (CID 57227775) is ethyl 2-acetamido-1-pentanoyloxy-1,3-dihydroindene-2-carboxylate.
What is the SMILES notation for ethyl 2-acetamido-1-pentanoyloxy-1,3-dihydroindene-2-carboxylate?
The canonical SMILES for ethyl 2-acetamido-1-pentanoyloxy-1,3-dihydroindene-2-carboxylate is CCCCC(=O)OC1c2ccccc2CC1(NC(C)=O)C(=O)OCC.
What is the InChIKey of ethyl 2-acetamido-1-pentanoyloxy-1,3-dihydroindene-2-carboxylate?
The InChIKey is ZXEJJKJLUPEVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO5/c1-4-6-11-16(22)25-17-15-10-8-7-9-14(15)12-19(17,20-13(3)21)18(23)24-5-2/h7-10,17H,4-6,11-12H2,1-3H3,(H,20,21).
What are the key properties of ethyl 2-acetamido-1-pentanoyloxy-1,3-dihydroindene-2-carboxylate?
ethyl 2-acetamido-1-pentanoyloxy-1,3-dihydroindene-2-carboxylate has a molecular weight of 347.41 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetamido-1-pentanoyloxy-1,3-dihydroindene-2-carboxylate is sourced from PubChem (CID 57227775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).