methyl 3-[2-(methoxymethoxy)anilino]-3-phenylpropanoate

C18H21NO4 — CID 101063224

IUPACmethyl 3-[2-(methoxymethoxy)anilino]-3-phenylpropanoate
SMILESCOCOc1ccccc1NC(CC(=O)OC)c1ccccc1
InChIInChI=1S/C18H21NO4/c1-21-13-23-17-11-7-6-10-15(17)19-16(12-18(20)22-2)14-8-4-3-5-9-14/h3-11,16,19H,12-13H2,1-2H3
InChIKeyVWWYVVMXFZEBIS-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.39
Rot. Bonds8

About methyl 3-[2-(methoxymethoxy)anilino]-3-phenylpropanoate

methyl 3-[2-(methoxymethoxy)anilino]-3-phenylpropanoate (PubChem CID 101063224) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is methyl 3-[2-(methoxymethoxy)anilino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-[2-(methoxymethoxy)anilino]-3-phenylpropanoate
PubChem CID101063224
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Namemethyl 3-[2-(methoxymethoxy)anilino]-3-phenylpropanoate
SMILESCOCOc1ccccc1NC(CC(=O)OC)c1ccccc1
InChIInChI=1S/C18H21NO4/c1-21-13-23-17-11-7-6-10-15(17)19-16(12-18(20)22-2)14-8-4-3-5-9-14/h3-11,16,19H,12-13H2,1-2H3
InChIKeyVWWYVVMXFZEBIS-UHFFFAOYSA-N
XLogP3.39
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl (3S)-3-anilino-3-phenylpropanoate
CID 10777401
methyl 3-(2-methoxyanilino)-3-naphthalen-2-ylpropanoate
CID 15416909
methyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate
CID 18121206
methyl (3S)-3-anilino-3-(4-methylphenyl)propanoate
CID 101375267
methyl (3R)-3-anilino-3-(4-methylphenyl)propanoate
CID 101375266
ethyl 3-(2,4-dimethoxyanilino)-3-phenylpropanoate
CID 101207114
methyl 3-anilino-3-(4-methoxyphenyl)propanoate
CID 146162562
N-(2-ethoxyphenyl)-1-phenylpropane-1,3-diamine
CID 20504988
methyl 3-phenyl-3-(pyridin-2-ylmethylamino)propanoate
CID 139997097
methyl (3S)-3-[[2-(2-fluorophenoxy)acetyl]amino]-3-phenylpropanoate
CID 51558007
dimethyl (3R,4R)-3,4-diphenylhexanedioate
CID 10969442
methyl 3-[[2-(methylamino)acetyl]amino]-3-phenylpropanoate
CID 119695221

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(methoxymethoxy)anilino]-3-phenylpropanoate?
The IUPAC name of methyl 3-[2-(methoxymethoxy)anilino]-3-phenylpropanoate (CID 101063224) is methyl 3-[2-(methoxymethoxy)anilino]-3-phenylpropanoate.
What is the SMILES notation for methyl 3-[2-(methoxymethoxy)anilino]-3-phenylpropanoate?
The canonical SMILES for methyl 3-[2-(methoxymethoxy)anilino]-3-phenylpropanoate is COCOc1ccccc1NC(CC(=O)OC)c1ccccc1.
What is the InChIKey of methyl 3-[2-(methoxymethoxy)anilino]-3-phenylpropanoate?
The InChIKey is VWWYVVMXFZEBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-21-13-23-17-11-7-6-10-15(17)19-16(12-18(20)22-2)14-8-4-3-5-9-14/h3-11,16,19H,12-13H2,1-2H3.
What are the key properties of methyl 3-[2-(methoxymethoxy)anilino]-3-phenylpropanoate?
methyl 3-[2-(methoxymethoxy)anilino]-3-phenylpropanoate has a molecular weight of 315.37 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(methoxymethoxy)anilino]-3-phenylpropanoate is sourced from PubChem (CID 101063224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).