methyl 4-[4-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-2-methoxyphenyl]benzoate

C22H30N2O3 — CID 22730529

IUPACmethyl 4-[4-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-2-methoxyphenyl]benzoate
SMILESCOC(=O)c1ccc(-c2ccc(CCN(C)CCN(C)C)cc2OC)cc1
InChIInChI=1S/C22H30N2O3/c1-23(2)14-15-24(3)13-12-17-6-11-20(21(16-17)26-4)18-7-9-19(10-8-18)22(25)27-5/h6-11,16H,12-15H2,1-5H3
InChIKeyPGZACAZVGFLKNQ-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.18
Rot. Bonds9

About methyl 4-[4-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-2-methoxyphenyl]benzoate

methyl 4-[4-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-2-methoxyphenyl]benzoate (PubChem CID 22730529) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is methyl 4-[4-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-2-methoxyphenyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[4-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-2-methoxyphenyl]benzoate
PubChem CID22730529
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Namemethyl 4-[4-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-2-methoxyphenyl]benzoate
SMILESCOC(=O)c1ccc(-c2ccc(CCN(C)CCN(C)C)cc2OC)cc1
InChIInChI=1S/C22H30N2O3/c1-23(2)14-15-24(3)13-12-17-6-11-20(21(16-17)26-4)18-7-9-19(10-8-18)22(25)27-5/h6-11,16H,12-15H2,1-5H3
InChIKeyPGZACAZVGFLKNQ-UHFFFAOYSA-N
XLogP3.18
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-[4-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-2-methoxyphenyl]benzoate with MolForge

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Related Compounds

methyl 4-[2-methoxy-4-(3-methoxypropyl)phenyl]benzoate
CID 22730612
4-[4-[3-(dimethylamino)propyl]-2-methoxyphenyl]benzoic acid
CID 11616624
methyl 4-[[[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetyl]amino]methyl]benzoate
CID 8584099
methyl 4-[4-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-2-methoxyphenyl]benzoate
CID 24822315
methyl 3-[2-(dimethylamino)ethoxy]-4-(4-fluorophenyl)benzoate
CID 69037624
N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-4-methylbenzamide
CID 59969584
methyl 4-[[3-(3,4-dimethoxyphenyl)propanoyl-methylamino]methyl]benzoate
CID 37418458
methyl 4-[(3R)-3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 1118586
methyl 4-[2-[5-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxyphenyl]ethyl]benzoate
CID 171933762
N'-[(3,4-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 779156
methyl 4-[(3,4,5-trimethoxyphenyl)methyl]benzoate
CID 19861876
methyl 4-[2,3-difluoro-4-(4-propylphenyl)phenyl]benzoate
CID 142331543

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-2-methoxyphenyl]benzoate?
The IUPAC name of methyl 4-[4-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-2-methoxyphenyl]benzoate (CID 22730529) is methyl 4-[4-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-2-methoxyphenyl]benzoate.
What is the SMILES notation for methyl 4-[4-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-2-methoxyphenyl]benzoate?
The canonical SMILES for methyl 4-[4-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-2-methoxyphenyl]benzoate is COC(=O)c1ccc(-c2ccc(CCN(C)CCN(C)C)cc2OC)cc1.
What is the InChIKey of methyl 4-[4-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-2-methoxyphenyl]benzoate?
The InChIKey is PGZACAZVGFLKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-23(2)14-15-24(3)13-12-17-6-11-20(21(16-17)26-4)18-7-9-19(10-8-18)22(25)27-5/h6-11,16H,12-15H2,1-5H3.
What are the key properties of methyl 4-[4-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-2-methoxyphenyl]benzoate?
methyl 4-[4-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-2-methoxyphenyl]benzoate has a molecular weight of 370.49 g/mol, XLogP of 3.18, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-2-methoxyphenyl]benzoate is sourced from PubChem (CID 22730529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).