5-[4-(2-aminoethyl)phenoxy]-N-[(4-chlorophenyl)methyl]-2,3,4-trimethoxybenzamide

C25H27ClN2O5 — CID 171386506

IUPAC5-[4-(2-aminoethyl)phenoxy]-N-[(4-chlorophenyl)methyl]-2,3,4-trimethoxybenzamide
SMILESCOc1c(Oc2ccc(CCN)cc2)cc(C(=O)NCc2ccc(Cl)cc2)c(OC)c1OC
InChIInChI=1S/C25H27ClN2O5/c1-30-22-20(25(29)28-15-17-4-8-18(26)9-5-17)14-21(23(31-2)24(22)32-3)33-19-10-6-16(7-11-19)12-13-27/h4-11,14H,12-13,15,27H2,1-3H3,(H,28,29)
InChIKeyAXZISNJLSURRHM-UHFFFAOYSA-N
MW470.95 g/mol
LogP4.59
Rot. Bonds10

About 5-[4-(2-aminoethyl)phenoxy]-N-[(4-chlorophenyl)methyl]-2,3,4-trimethoxybenzamide

5-[4-(2-aminoethyl)phenoxy]-N-[(4-chlorophenyl)methyl]-2,3,4-trimethoxybenzamide (PubChem CID 171386506) has the molecular formula C25H27ClN2O5 and a molecular weight of 470.95 g/mol. Its IUPAC name is 5-[4-(2-aminoethyl)phenoxy]-N-[(4-chlorophenyl)methyl]-2,3,4-trimethoxybenzamide.

Molecular Properties

Compound Name5-[4-(2-aminoethyl)phenoxy]-N-[(4-chlorophenyl)methyl]-2,3,4-trimethoxybenzamide
PubChem CID171386506
Molecular FormulaC25H27ClN2O5
Molecular Weight470.95 g/mol
Exact Mass470.16
IUPAC Name5-[4-(2-aminoethyl)phenoxy]-N-[(4-chlorophenyl)methyl]-2,3,4-trimethoxybenzamide
SMILESCOc1c(Oc2ccc(CCN)cc2)cc(C(=O)NCc2ccc(Cl)cc2)c(OC)c1OC
InChIInChI=1S/C25H27ClN2O5/c1-30-22-20(25(29)28-15-17-4-8-18(26)9-5-17)14-21(23(31-2)24(22)32-3)33-19-10-6-16(7-11-19)12-13-27/h4-11,14H,12-13,15,27H2,1-3H3,(H,28,29)
InChIKeyAXZISNJLSURRHM-UHFFFAOYSA-N
XLogP4.59
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.95
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 171386529
5-[4-(2-aminoethyl)phenoxy]-N-(3-chlorophenyl)-2,3,4-trimethoxybenzamide
CID 171910011
5-[4-(2-aminoethyl)phenoxy]-N-(2,4-difluorophenyl)-2,3,4-trimethoxybenzamide
CID 171908519
5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxy-N-(1-methylcyclopentyl)benzamide
CID 171916109
5-[4-(2-aminoethyl)phenoxy]-N-(2,3-dihydro-1H-inden-2-yl)-2,3,4-trimethoxybenzamide
CID 171388001
5-[4-(2-aminoethyl)phenoxy]-N-cyclopent-2-en-1-yl-2,3,4-trimethoxybenzamide
CID 172674388
5-[4-(2-aminoethyl)phenoxy]-N-(1-azabicyclo[2.2.2]octan-3-yl)-2,3,4-trimethoxybenzamide;dihydrochloride
CID 171992013
5-[4-(2-aminoethyl)phenoxy]-N-(2-ethyl-6-methylphenyl)-2,3,4-trimethoxybenzamide
CID 171910548
[5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxyphenyl]-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 171386046
N-[(4-chlorophenyl)methyl]-2,3-dimethoxybenzamide
CID 912340
N-[[4-(2-aminoethyl)phenyl]methyl]-2,4-dichlorobenzamide
CID 62502829
[5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxyphenyl]-(4-ethylpiperazin-1-yl)methanone;dihydrochloride
CID 171991868

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-aminoethyl)phenoxy]-N-[(4-chlorophenyl)methyl]-2,3,4-trimethoxybenzamide?
The IUPAC name of 5-[4-(2-aminoethyl)phenoxy]-N-[(4-chlorophenyl)methyl]-2,3,4-trimethoxybenzamide (CID 171386506) is 5-[4-(2-aminoethyl)phenoxy]-N-[(4-chlorophenyl)methyl]-2,3,4-trimethoxybenzamide.
What is the SMILES notation for 5-[4-(2-aminoethyl)phenoxy]-N-[(4-chlorophenyl)methyl]-2,3,4-trimethoxybenzamide?
The canonical SMILES for 5-[4-(2-aminoethyl)phenoxy]-N-[(4-chlorophenyl)methyl]-2,3,4-trimethoxybenzamide is COc1c(Oc2ccc(CCN)cc2)cc(C(=O)NCc2ccc(Cl)cc2)c(OC)c1OC.
What is the InChIKey of 5-[4-(2-aminoethyl)phenoxy]-N-[(4-chlorophenyl)methyl]-2,3,4-trimethoxybenzamide?
The InChIKey is AXZISNJLSURRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O5/c1-30-22-20(25(29)28-15-17-4-8-18(26)9-5-17)14-21(23(31-2)24(22)32-3)33-19-10-6-16(7-11-19)12-13-27/h4-11,14H,12-13,15,27H2,1-3H3,(H,28,29).
What are the key properties of 5-[4-(2-aminoethyl)phenoxy]-N-[(4-chlorophenyl)methyl]-2,3,4-trimethoxybenzamide?
5-[4-(2-aminoethyl)phenoxy]-N-[(4-chlorophenyl)methyl]-2,3,4-trimethoxybenzamide has a molecular weight of 470.95 g/mol, XLogP of 4.59, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-aminoethyl)phenoxy]-N-[(4-chlorophenyl)methyl]-2,3,4-trimethoxybenzamide is sourced from PubChem (CID 171386506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).