2-hydroxyethyl 1-[(4-methylphenyl)methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate

C19H21NO4 — CID 139547915

IUPAC2-hydroxyethyl 1-[(4-methylphenyl)methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate
SMILESCc1ccc(Cn2c(C(=O)OCCO)cc3c2CCCC3=O)cc1
InChIInChI=1S/C19H21NO4/c1-13-5-7-14(8-6-13)12-20-16-3-2-4-18(22)15(16)11-17(20)19(23)24-10-9-21/h5-8,11,21H,2-4,9-10,12H2,1H3
InChIKeyXGQORKCPXWWOKU-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.51
Rot. Bonds5

About 2-hydroxyethyl 1-[(4-methylphenyl)methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate

2-hydroxyethyl 1-[(4-methylphenyl)methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate (PubChem CID 139547915) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-hydroxyethyl 1-[(4-methylphenyl)methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl 1-[(4-methylphenyl)methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate
PubChem CID139547915
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name2-hydroxyethyl 1-[(4-methylphenyl)methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate
SMILESCc1ccc(Cn2c(C(=O)OCCO)cc3c2CCCC3=O)cc1
InChIInChI=1S/C19H21NO4/c1-13-5-7-14(8-6-13)12-20-16-3-2-4-18(22)15(16)11-17(20)19(23)24-10-9-21/h5-8,11,21H,2-4,9-10,12H2,1H3
InChIKeyXGQORKCPXWWOKU-UHFFFAOYSA-N
XLogP2.51
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(2-hydroxyethoxycarbonyl)-4-oxo-6,7-dihydro-5H-indol-1-yl]methyl]benzoic acid
CID 139537897
1-[(4-methylphenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
CID 81109385
1-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylic acid
CID 150406846
1-[(4-methylphenyl)methyl]-7-oxo-5,6-dihydro-4H-indole-2-carboxylic acid
CID 123448058
ethyl 1-[(2,4-dimethylphenyl)methyl]-7-oxo-5,6-dihydro-4H-indole-2-carboxylate
CID 162425697
ethyl 4-acetyl-5-[(1-benzyl-4-oxo-6,7-dihydro-5H-indol-2-yl)methyl]-3-methyl-1H-pyrrole-2-carboxylate
CID 10717602
methyl 1-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydroindole-2-carboxylate
CID 58306956
ethyl 1-[(4-methylphenyl)methyl]indole-2-carboxylate
CID 155536959
1-[2-(2-hydroxyethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione
CID 81108927
ethyl 1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-4-carboxylate
CID 102367438
ethyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate
CID 81108822
methyl (2S)-3-methyl-2-[[1-[(4-methylphenyl)methyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]butanoate
CID 69475366

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 1-[(4-methylphenyl)methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate?
The IUPAC name of 2-hydroxyethyl 1-[(4-methylphenyl)methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate (CID 139547915) is 2-hydroxyethyl 1-[(4-methylphenyl)methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate.
What is the SMILES notation for 2-hydroxyethyl 1-[(4-methylphenyl)methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate?
The canonical SMILES for 2-hydroxyethyl 1-[(4-methylphenyl)methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate is Cc1ccc(Cn2c(C(=O)OCCO)cc3c2CCCC3=O)cc1.
What is the InChIKey of 2-hydroxyethyl 1-[(4-methylphenyl)methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate?
The InChIKey is XGQORKCPXWWOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-13-5-7-14(8-6-13)12-20-16-3-2-4-18(22)15(16)11-17(20)19(23)24-10-9-21/h5-8,11,21H,2-4,9-10,12H2,1H3.
What are the key properties of 2-hydroxyethyl 1-[(4-methylphenyl)methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate?
2-hydroxyethyl 1-[(4-methylphenyl)methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate has a molecular weight of 327.38 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 1-[(4-methylphenyl)methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate is sourced from PubChem (CID 139547915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).