methyl 2-methoxy-5-[[2-(2-methyl-5-propan-2-ylphenoxy)propanoylamino]methyl]benzoate

C23H29NO5 — CID 55770623

IUPACmethyl 2-methoxy-5-[[2-(2-methyl-5-propan-2-ylphenoxy)propanoylamino]methyl]benzoate
SMILESCOC(=O)c1cc(CNC(=O)C(C)Oc2cc(C(C)C)ccc2C)ccc1OC
InChIInChI=1S/C23H29NO5/c1-14(2)18-9-7-15(3)21(12-18)29-16(4)22(25)24-13-17-8-10-20(27-5)19(11-17)23(26)28-6/h7-12,14,16H,13H2,1-6H3,(H,24,25)
InChIKeyKLODPEPURVGJJO-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.00
Rot. Bonds8

About methyl 2-methoxy-5-[[2-(2-methyl-5-propan-2-ylphenoxy)propanoylamino]methyl]benzoate

methyl 2-methoxy-5-[[2-(2-methyl-5-propan-2-ylphenoxy)propanoylamino]methyl]benzoate (PubChem CID 55770623) has the molecular formula C23H29NO5 and a molecular weight of 399.49 g/mol. Its IUPAC name is methyl 2-methoxy-5-[[2-(2-methyl-5-propan-2-ylphenoxy)propanoylamino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-methoxy-5-[[2-(2-methyl-5-propan-2-ylphenoxy)propanoylamino]methyl]benzoate
PubChem CID55770623
Molecular FormulaC23H29NO5
Molecular Weight399.49 g/mol
Exact Mass399.20
IUPAC Namemethyl 2-methoxy-5-[[2-(2-methyl-5-propan-2-ylphenoxy)propanoylamino]methyl]benzoate
SMILESCOC(=O)c1cc(CNC(=O)C(C)Oc2cc(C(C)C)ccc2C)ccc1OC
InChIInChI=1S/C23H29NO5/c1-14(2)18-9-7-15(3)21(12-18)29-16(4)22(25)24-13-17-8-10-20(27-5)19(11-17)23(26)28-6/h7-12,14,16H,13H2,1-6H3,(H,24,25)
InChIKeyKLODPEPURVGJJO-UHFFFAOYSA-N
XLogP4.00
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-methoxy-5-[[2-(2-methyl-5-propan-2-ylphenoxy)propanoylamino]methyl]benzoate with MolForge

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Related Compounds

methyl 5-[[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]methyl]-2-methoxybenzoate
CID 51537459
methyl 5-[(2-ethylbutanoylamino)methyl]-2-methoxybenzoate
CID 78781017
N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)propanamide
CID 47115044
methyl 4-methoxy-2-[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]oxybenzoate
CID 26563881
(2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 92685312
methyl 5-[[[(2S)-2-but-3-enoxypropanoyl]amino]methyl]-2-methoxybenzoate
CID 95272521
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 42966353
N-[2-(ethylamino)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119508717
2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 53282908
(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 28636993
2-(3,4-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]propanamide
CID 53286233
(2S)-N-[2-(4-propan-2-ylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 92680909

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-5-[[2-(2-methyl-5-propan-2-ylphenoxy)propanoylamino]methyl]benzoate?
The IUPAC name of methyl 2-methoxy-5-[[2-(2-methyl-5-propan-2-ylphenoxy)propanoylamino]methyl]benzoate (CID 55770623) is methyl 2-methoxy-5-[[2-(2-methyl-5-propan-2-ylphenoxy)propanoylamino]methyl]benzoate.
What is the SMILES notation for methyl 2-methoxy-5-[[2-(2-methyl-5-propan-2-ylphenoxy)propanoylamino]methyl]benzoate?
The canonical SMILES for methyl 2-methoxy-5-[[2-(2-methyl-5-propan-2-ylphenoxy)propanoylamino]methyl]benzoate is COC(=O)c1cc(CNC(=O)C(C)Oc2cc(C(C)C)ccc2C)ccc1OC.
What is the InChIKey of methyl 2-methoxy-5-[[2-(2-methyl-5-propan-2-ylphenoxy)propanoylamino]methyl]benzoate?
The InChIKey is KLODPEPURVGJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO5/c1-14(2)18-9-7-15(3)21(12-18)29-16(4)22(25)24-13-17-8-10-20(27-5)19(11-17)23(26)28-6/h7-12,14,16H,13H2,1-6H3,(H,24,25).
What are the key properties of methyl 2-methoxy-5-[[2-(2-methyl-5-propan-2-ylphenoxy)propanoylamino]methyl]benzoate?
methyl 2-methoxy-5-[[2-(2-methyl-5-propan-2-ylphenoxy)propanoylamino]methyl]benzoate has a molecular weight of 399.49 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-5-[[2-(2-methyl-5-propan-2-ylphenoxy)propanoylamino]methyl]benzoate is sourced from PubChem (CID 55770623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).