methyl 4-[[2-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]ethyl]morpholin-4-yl]methyl]benzoate

C27H32N2O3 — CID 122507072

IUPACmethyl 4-[[2-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]ethyl]morpholin-4-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(CN2CCOC(CCN[C@H](C)c3cccc4ccccc34)C2)cc1
InChIInChI=1S/C27H32N2O3/c1-20(25-9-5-7-22-6-3-4-8-26(22)25)28-15-14-24-19-29(16-17-32-24)18-21-10-12-23(13-11-21)27(30)31-2/h3-13,20,24,28H,14-19H2,1-2H3/t20-,24?/m1/s1
InChIKeyKOJMPZPXKNMTQT-CGHJUBPDSA-N
MW432.56 g/mol
LogP4.57
Rot. Bonds8

About methyl 4-[[2-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]ethyl]morpholin-4-yl]methyl]benzoate

methyl 4-[[2-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]ethyl]morpholin-4-yl]methyl]benzoate (PubChem CID 122507072) has the molecular formula C27H32N2O3 and a molecular weight of 432.56 g/mol. Its IUPAC name is methyl 4-[[2-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]ethyl]morpholin-4-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]ethyl]morpholin-4-yl]methyl]benzoate
PubChem CID122507072
Molecular FormulaC27H32N2O3
Molecular Weight432.56 g/mol
Exact Mass432.24
IUPAC Namemethyl 4-[[2-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]ethyl]morpholin-4-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(CN2CCOC(CCN[C@H](C)c3cccc4ccccc34)C2)cc1
InChIInChI=1S/C27H32N2O3/c1-20(25-9-5-7-22-6-3-4-8-26(22)25)28-15-14-24-19-29(16-17-32-24)18-21-10-12-23(13-11-21)27(30)31-2/h3-13,20,24,28H,14-19H2,1-2H3/t20-,24?/m1/s1
InChIKeyKOJMPZPXKNMTQT-CGHJUBPDSA-N
XLogP4.57
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.56
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[2-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]ethyl]morpholin-4-yl]methyl]benzoate with MolForge

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Related Compounds

3-[[2-[(4S)-4-naphthalen-1-ylpentyl]morpholin-4-yl]methyl]benzoic acid;dihydrochloride
CID 159774736
methyl 3-[[2-[2-(1-naphthalen-1-ylethylamino)ethyl]-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoate
CID 77137855
(1R)-N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-1-naphthalen-1-ylethanamine;(E)-but-2-enedioic acid
CID 68910564
methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592
4-[[[2-[(2R)-4-benzylmorpholin-2-yl]acetyl]amino]methyl]benzoic acid
CID 124703826
[(2R)-4-benzylmorpholin-2-yl]methyl benzoate
CID 54346550
N,N-dimethyl-4-[2-[(1-naphthalen-1-ylethylamino)methyl]morpholin-4-yl]benzamide
CID 77464215
ethyl 4-[3-(4-benzylmorpholin-2-yl)propoxy]benzoate;hydrochloride
CID 19983193
methyl 1-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-3-carboxylate
CID 112730539
methyl 3-[2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]benzoate
CID 66550183
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 39472023
methyl 6-[[2-(1-aminoethyl)morpholin-4-yl]methyl]pyridine-2-carboxylate
CID 106905132

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]ethyl]morpholin-4-yl]methyl]benzoate?
The IUPAC name of methyl 4-[[2-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]ethyl]morpholin-4-yl]methyl]benzoate (CID 122507072) is methyl 4-[[2-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]ethyl]morpholin-4-yl]methyl]benzoate.
What is the SMILES notation for methyl 4-[[2-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]ethyl]morpholin-4-yl]methyl]benzoate?
The canonical SMILES for methyl 4-[[2-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]ethyl]morpholin-4-yl]methyl]benzoate is COC(=O)c1ccc(CN2CCOC(CCN[C@H](C)c3cccc4ccccc34)C2)cc1.
What is the InChIKey of methyl 4-[[2-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]ethyl]morpholin-4-yl]methyl]benzoate?
The InChIKey is KOJMPZPXKNMTQT-CGHJUBPDSA-N. The full InChI is InChI=1S/C27H32N2O3/c1-20(25-9-5-7-22-6-3-4-8-26(22)25)28-15-14-24-19-29(16-17-32-24)18-21-10-12-23(13-11-21)27(30)31-2/h3-13,20,24,28H,14-19H2,1-2H3/t20-,24?/m1/s1.
What are the key properties of methyl 4-[[2-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]ethyl]morpholin-4-yl]methyl]benzoate?
methyl 4-[[2-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]ethyl]morpholin-4-yl]methyl]benzoate has a molecular weight of 432.56 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]ethyl]morpholin-4-yl]methyl]benzoate is sourced from PubChem (CID 122507072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).