ethyl 4-[2-(cyclohexylamino)acetyl]-7-hydroxy-1H-indole-2-carboxylate;hydrochloride

C19H25ClN2O4 — CID 70382007

IUPACethyl 4-[2-(cyclohexylamino)acetyl]-7-hydroxy-1H-indole-2-carboxylate;hydrochloride
SMILESCCOC(=O)c1cc2c(C(=O)CNC3CCCCC3)ccc(O)c2[nH]1.Cl
InChIInChI=1S/C19H24N2O4.ClH/c1-2-25-19(24)15-10-14-13(8-9-16(22)18(14)21-15)17(23)11-20-12-6-4-3-5-7-12;/h8-10,12,20-22H,2-7,11H2,1H3;1H
InChIKeyNJKLOTUTUUVPFG-UHFFFAOYSA-N
MW380.87 g/mol
LogP3.58
Rot. Bonds6

About ethyl 4-[2-(cyclohexylamino)acetyl]-7-hydroxy-1H-indole-2-carboxylate;hydrochloride

ethyl 4-[2-(cyclohexylamino)acetyl]-7-hydroxy-1H-indole-2-carboxylate;hydrochloride (PubChem CID 70382007) has the molecular formula C19H25ClN2O4 and a molecular weight of 380.87 g/mol. Its IUPAC name is ethyl 4-[2-(cyclohexylamino)acetyl]-7-hydroxy-1H-indole-2-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-[2-(cyclohexylamino)acetyl]-7-hydroxy-1H-indole-2-carboxylate;hydrochloride
PubChem CID70382007
Molecular FormulaC19H25ClN2O4
Molecular Weight380.87 g/mol
Exact Mass380.15
IUPAC Nameethyl 4-[2-(cyclohexylamino)acetyl]-7-hydroxy-1H-indole-2-carboxylate;hydrochloride
SMILESCCOC(=O)c1cc2c(C(=O)CNC3CCCCC3)ccc(O)c2[nH]1.Cl
InChIInChI=1S/C19H24N2O4.ClH/c1-2-25-19(24)15-10-14-13(8-9-16(22)18(14)21-15)17(23)11-20-12-6-4-3-5-7-12;/h8-10,12,20-22H,2-7,11H2,1H3;1H
InChIKeyNJKLOTUTUUVPFG-UHFFFAOYSA-N
XLogP3.58
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.87
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(cyclohexylamino)acetyl]-7-hydroxy-1H-indole-2-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-[2-(cyclohexylamino)acetyl]-7-hydroxy-1H-indole-2-carboxylate;hydrochloride (CID 70382007) is ethyl 4-[2-(cyclohexylamino)acetyl]-7-hydroxy-1H-indole-2-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-[2-(cyclohexylamino)acetyl]-7-hydroxy-1H-indole-2-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-[2-(cyclohexylamino)acetyl]-7-hydroxy-1H-indole-2-carboxylate;hydrochloride is CCOC(=O)c1cc2c(C(=O)CNC3CCCCC3)ccc(O)c2[nH]1.Cl.
What is the InChIKey of ethyl 4-[2-(cyclohexylamino)acetyl]-7-hydroxy-1H-indole-2-carboxylate;hydrochloride?
The InChIKey is NJKLOTUTUUVPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4.ClH/c1-2-25-19(24)15-10-14-13(8-9-16(22)18(14)21-15)17(23)11-20-12-6-4-3-5-7-12;/h8-10,12,20-22H,2-7,11H2,1H3;1H.
What are the key properties of ethyl 4-[2-(cyclohexylamino)acetyl]-7-hydroxy-1H-indole-2-carboxylate;hydrochloride?
ethyl 4-[2-(cyclohexylamino)acetyl]-7-hydroxy-1H-indole-2-carboxylate;hydrochloride has a molecular weight of 380.87 g/mol, XLogP of 3.58, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(cyclohexylamino)acetyl]-7-hydroxy-1H-indole-2-carboxylate;hydrochloride is sourced from PubChem (CID 70382007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).