methyl 2-[2-methoxy-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]phenyl]acetate

C30H35NO5 — CID 71043442

IUPACmethyl 2-[2-methoxy-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]phenyl]acetate
SMILESCOC(=O)Cc1cc(NC(=O)CCc2ccc(OCCCCCc3ccccc3)cc2)ccc1OC
InChIInChI=1S/C30H35NO5/c1-34-28-18-15-26(21-25(28)22-30(33)35-2)31-29(32)19-14-24-12-16-27(17-13-24)36-20-8-4-7-11-23-9-5-3-6-10-23/h3,5-6,9-10,12-13,15-18,21H,4,7-8,11,14,19-20,22H2,1-2H3,(H,31,32)
InChIKeySYOZWZFZVOMOBK-UHFFFAOYSA-N
MW489.61 g/mol
LogP5.77
Rot. Bonds14

About methyl 2-[2-methoxy-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]phenyl]acetate

methyl 2-[2-methoxy-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]phenyl]acetate (PubChem CID 71043442) has the molecular formula C30H35NO5 and a molecular weight of 489.61 g/mol. Its IUPAC name is methyl 2-[2-methoxy-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-methoxy-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]phenyl]acetate
PubChem CID71043442
Molecular FormulaC30H35NO5
Molecular Weight489.61 g/mol
Exact Mass489.25
IUPAC Namemethyl 2-[2-methoxy-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]phenyl]acetate
SMILESCOC(=O)Cc1cc(NC(=O)CCc2ccc(OCCCCCc3ccccc3)cc2)ccc1OC
InChIInChI=1S/C30H35NO5/c1-34-28-18-15-26(21-25(28)22-30(33)35-2)31-29(32)19-14-24-12-16-27(17-13-24)36-20-8-4-7-11-23-9-5-3-6-10-23/h3,5-6,9-10,12-13,15-18,21H,4,7-8,11,14,19-20,22H2,1-2H3,(H,31,32)
InChIKeySYOZWZFZVOMOBK-UHFFFAOYSA-N
XLogP5.77
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.61
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 2-[2-methoxy-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]phenyl]acetate with MolForge

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Related Compounds

2-(dimethylamino)-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzoic acid
CID 10205705
2-fluoro-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzamide
CID 58804654
N-(3,4-dimethylphenyl)-3-[4-(5-pyridin-4-ylpentoxy)phenyl]propanamide
CID 142185277
N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 19220649
3-phenyl-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 17066904
N-(3-acetamido-4-methoxyphenyl)-3-phenylpropanamide
CID 51651956
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-3-phenylpropanamide
CID 17222836
2-[4-[3-(4-octadecoxyphenyl)propanoylamino]phenyl]acetic acid
CID 139918168
N,N'-bis[4-(2-phenylethoxy)phenyl]nonanediamide
CID 17067257
N-[4-[[2-(4-heptoxyanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839712
N-(3-benzyl-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 27038651
N-[4-[[2-oxo-2-[4-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54839600

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-methoxy-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]phenyl]acetate?
The IUPAC name of methyl 2-[2-methoxy-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]phenyl]acetate (CID 71043442) is methyl 2-[2-methoxy-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-methoxy-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]phenyl]acetate?
The canonical SMILES for methyl 2-[2-methoxy-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]phenyl]acetate is COC(=O)Cc1cc(NC(=O)CCc2ccc(OCCCCCc3ccccc3)cc2)ccc1OC.
What is the InChIKey of methyl 2-[2-methoxy-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]phenyl]acetate?
The InChIKey is SYOZWZFZVOMOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35NO5/c1-34-28-18-15-26(21-25(28)22-30(33)35-2)31-29(32)19-14-24-12-16-27(17-13-24)36-20-8-4-7-11-23-9-5-3-6-10-23/h3,5-6,9-10,12-13,15-18,21H,4,7-8,11,14,19-20,22H2,1-2H3,(H,31,32).
What are the key properties of methyl 2-[2-methoxy-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]phenyl]acetate?
methyl 2-[2-methoxy-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]phenyl]acetate has a molecular weight of 489.61 g/mol, XLogP of 5.77, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-methoxy-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]phenyl]acetate is sourced from PubChem (CID 71043442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).