[4-(2-methylpropyl)morpholin-2-yl]methyl 3-(3-methylphenyl)propanoate

C19H29NO3 — CID 78831866

IUPAC[4-(2-methylpropyl)morpholin-2-yl]methyl 3-(3-methylphenyl)propanoate
SMILESCc1cccc(CCC(=O)OCC2CN(CC(C)C)CCO2)c1
InChIInChI=1S/C19H29NO3/c1-15(2)12-20-9-10-22-18(13-20)14-23-19(21)8-7-17-6-4-5-16(3)11-17/h4-6,11,15,18H,7-10,12-14H2,1-3H3
InChIKeyILIBHWCVPQPWEA-UHFFFAOYSA-N
MW319.44 g/mol
LogP2.83
Rot. Bonds7

About [4-(2-methylpropyl)morpholin-2-yl]methyl 3-(3-methylphenyl)propanoate

[4-(2-methylpropyl)morpholin-2-yl]methyl 3-(3-methylphenyl)propanoate (PubChem CID 78831866) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is [4-(2-methylpropyl)morpholin-2-yl]methyl 3-(3-methylphenyl)propanoate.

Molecular Properties

Compound Name[4-(2-methylpropyl)morpholin-2-yl]methyl 3-(3-methylphenyl)propanoate
PubChem CID78831866
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Name[4-(2-methylpropyl)morpholin-2-yl]methyl 3-(3-methylphenyl)propanoate
SMILESCc1cccc(CCC(=O)OCC2CN(CC(C)C)CCO2)c1
InChIInChI=1S/C19H29NO3/c1-15(2)12-20-9-10-22-18(13-20)14-23-19(21)8-7-17-6-4-5-16(3)11-17/h4-6,11,15,18H,7-10,12-14H2,1-3H3
InChIKeyILIBHWCVPQPWEA-UHFFFAOYSA-N
XLogP2.83
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(2-methylpropyl)morpholin-2-yl]methyl 3-(3-methylphenyl)propanoate with MolForge

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Related Compounds

[4-(2-methylpropyl)morpholin-2-yl]methyl 3-(3-fluorophenyl)propanoate
CID 78831870
oxolan-2-ylmethyl 3-(3-methylphenyl)propanoate
CID 78833188
[4-(2-methylpropyl)morpholin-2-yl]methyl (E)-3-(2-methoxy-5-methylphenyl)prop-2-enoate
CID 78831837
[4-(2-methylpropyl)morpholin-2-yl]methyl 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoate
CID 78846669
2-(3-methylphenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 46684440
[4-(2-methylpropyl)morpholin-2-yl]methyl 3-(difluoromethoxy)benzoate
CID 78830796
methyl 2-[4-[(3-methylphenyl)methyl]morpholin-2-yl]acetate
CID 79822269
[4-(2-methylpropyl)morpholin-2-yl]methyl 2-cyclohexylacetate
CID 78831240
3-(4-methylphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
CID 134032540
[4-(2-methylpropyl)morpholin-2-yl]methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 78825962
(4-benzylmorpholin-2-yl)methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate
CID 55479477
(4-benzylmorpholin-2-yl)methyl 3-(2-fluorophenyl)propanoate
CID 55368942

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)morpholin-2-yl]methyl 3-(3-methylphenyl)propanoate?
The IUPAC name of [4-(2-methylpropyl)morpholin-2-yl]methyl 3-(3-methylphenyl)propanoate (CID 78831866) is [4-(2-methylpropyl)morpholin-2-yl]methyl 3-(3-methylphenyl)propanoate.
What is the SMILES notation for [4-(2-methylpropyl)morpholin-2-yl]methyl 3-(3-methylphenyl)propanoate?
The canonical SMILES for [4-(2-methylpropyl)morpholin-2-yl]methyl 3-(3-methylphenyl)propanoate is Cc1cccc(CCC(=O)OCC2CN(CC(C)C)CCO2)c1.
What is the InChIKey of [4-(2-methylpropyl)morpholin-2-yl]methyl 3-(3-methylphenyl)propanoate?
The InChIKey is ILIBHWCVPQPWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-15(2)12-20-9-10-22-18(13-20)14-23-19(21)8-7-17-6-4-5-16(3)11-17/h4-6,11,15,18H,7-10,12-14H2,1-3H3.
What are the key properties of [4-(2-methylpropyl)morpholin-2-yl]methyl 3-(3-methylphenyl)propanoate?
[4-(2-methylpropyl)morpholin-2-yl]methyl 3-(3-methylphenyl)propanoate has a molecular weight of 319.44 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)morpholin-2-yl]methyl 3-(3-methylphenyl)propanoate is sourced from PubChem (CID 78831866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).