ethyl (1S)-1-[methyl(2-morpholin-4-ylethyl)amino]-2,3-dihydro-1H-indene-5-carboxylate

C19H28N2O3 — CID 141293810

IUPACethyl (1S)-1-[methyl(2-morpholin-4-ylethyl)amino]-2,3-dihydro-1H-indene-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)CC[C@@H]2N(C)CCN1CCOCC1
InChIInChI=1S/C19H28N2O3/c1-3-24-19(22)16-4-6-17-15(14-16)5-7-18(17)20(2)8-9-21-10-12-23-13-11-21/h4,6,14,18H,3,5,7-13H2,1-2H3/t18-/m0/s1
InChIKeySOHOKSSDXIEBJJ-SFHVURJKSA-N
MW332.44 g/mol
LogP2.11
Rot. Bonds6

About ethyl (1S)-1-[methyl(2-morpholin-4-ylethyl)amino]-2,3-dihydro-1H-indene-5-carboxylate

ethyl (1S)-1-[methyl(2-morpholin-4-ylethyl)amino]-2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 141293810) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is ethyl (1S)-1-[methyl(2-morpholin-4-ylethyl)amino]-2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

Compound Nameethyl (1S)-1-[methyl(2-morpholin-4-ylethyl)amino]-2,3-dihydro-1H-indene-5-carboxylate
PubChem CID141293810
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Nameethyl (1S)-1-[methyl(2-morpholin-4-ylethyl)amino]-2,3-dihydro-1H-indene-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)CC[C@@H]2N(C)CCN1CCOCC1
InChIInChI=1S/C19H28N2O3/c1-3-24-19(22)16-4-6-17-15(14-16)5-7-18(17)20(2)8-9-21-10-12-23-13-11-21/h4,6,14,18H,3,5,7-13H2,1-2H3/t18-/m0/s1
InChIKeySOHOKSSDXIEBJJ-SFHVURJKSA-N
XLogP2.11
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl (1S)-1-[methyl(2-morpholin-4-ylethyl)amino]-2,3-dihydro-1H-indene-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (1S)-1-[methyl(2-morpholin-4-ylethyl)amino]-2,3-dihydro-1H-indene-5-carboxylate?
The IUPAC name of ethyl (1S)-1-[methyl(2-morpholin-4-ylethyl)amino]-2,3-dihydro-1H-indene-5-carboxylate (CID 141293810) is ethyl (1S)-1-[methyl(2-morpholin-4-ylethyl)amino]-2,3-dihydro-1H-indene-5-carboxylate.
What is the SMILES notation for ethyl (1S)-1-[methyl(2-morpholin-4-ylethyl)amino]-2,3-dihydro-1H-indene-5-carboxylate?
The canonical SMILES for ethyl (1S)-1-[methyl(2-morpholin-4-ylethyl)amino]-2,3-dihydro-1H-indene-5-carboxylate is CCOC(=O)c1ccc2c(c1)CC[C@@H]2N(C)CCN1CCOCC1.
What is the InChIKey of ethyl (1S)-1-[methyl(2-morpholin-4-ylethyl)amino]-2,3-dihydro-1H-indene-5-carboxylate?
The InChIKey is SOHOKSSDXIEBJJ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-3-24-19(22)16-4-6-17-15(14-16)5-7-18(17)20(2)8-9-21-10-12-23-13-11-21/h4,6,14,18H,3,5,7-13H2,1-2H3/t18-/m0/s1.
What are the key properties of ethyl (1S)-1-[methyl(2-morpholin-4-ylethyl)amino]-2,3-dihydro-1H-indene-5-carboxylate?
ethyl (1S)-1-[methyl(2-morpholin-4-ylethyl)amino]-2,3-dihydro-1H-indene-5-carboxylate has a molecular weight of 332.44 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1S)-1-[methyl(2-morpholin-4-ylethyl)amino]-2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 141293810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).