5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxy-N-(1-methylcyclopentyl)benzamide

C24H32N2O5 — CID 171916109

IUPAC5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxy-N-(1-methylcyclopentyl)benzamide
SMILESCOc1c(Oc2ccc(CCN)cc2)cc(C(=O)NC2(C)CCCC2)c(OC)c1OC
InChIInChI=1S/C24H32N2O5/c1-24(12-5-6-13-24)26-23(27)18-15-19(21(29-3)22(30-4)20(18)28-2)31-17-9-7-16(8-10-17)11-14-25/h7-10,15H,5-6,11-14,25H2,1-4H3,(H,26,27)
InChIKeyWYYDLTTWTAEEAN-UHFFFAOYSA-N
MW428.53 g/mol
LogP4.07
Rot. Bonds9

About 5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxy-N-(1-methylcyclopentyl)benzamide

5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxy-N-(1-methylcyclopentyl)benzamide (PubChem CID 171916109) has the molecular formula C24H32N2O5 and a molecular weight of 428.53 g/mol. Its IUPAC name is 5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxy-N-(1-methylcyclopentyl)benzamide.

Molecular Properties

Compound Name5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxy-N-(1-methylcyclopentyl)benzamide
PubChem CID171916109
Molecular FormulaC24H32N2O5
Molecular Weight428.53 g/mol
Exact Mass428.23
IUPAC Name5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxy-N-(1-methylcyclopentyl)benzamide
SMILESCOc1c(Oc2ccc(CCN)cc2)cc(C(=O)NC2(C)CCCC2)c(OC)c1OC
InChIInChI=1S/C24H32N2O5/c1-24(12-5-6-13-24)26-23(27)18-15-19(21(29-3)22(30-4)20(18)28-2)31-17-9-7-16(8-10-17)11-14-25/h7-10,15H,5-6,11-14,25H2,1-4H3,(H,26,27)
InChIKeyWYYDLTTWTAEEAN-UHFFFAOYSA-N
XLogP4.07
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(2-aminoethyl)phenoxy]-N-[(4-chlorophenyl)methyl]-2,3,4-trimethoxybenzamide
CID 171386506
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-(2,4-difluorophenyl)-2,3,4-trimethoxybenzamide
CID 171908519
5-[4-(2-aminoethyl)phenoxy]-N-cyclopent-2-en-1-yl-2,3,4-trimethoxybenzamide
CID 172674388
5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxy-N-(4-methylsulfanylphenyl)benzamide
CID 171910793
5-[4-(2-aminoethyl)phenoxy]-N-(3-chlorophenyl)-2,3,4-trimethoxybenzamide
CID 171910011
5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 171386529
[5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxyphenyl]-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 171386046
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]-(4-ethylpiperazin-1-yl)methanone;dihydrochloride
CID 171991868
[5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxyphenyl]-(2-ethylpiperidin-1-yl)methanone
CID 171389734

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxy-N-(1-methylcyclopentyl)benzamide?
The IUPAC name of 5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxy-N-(1-methylcyclopentyl)benzamide (CID 171916109) is 5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxy-N-(1-methylcyclopentyl)benzamide.
What is the SMILES notation for 5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxy-N-(1-methylcyclopentyl)benzamide?
The canonical SMILES for 5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxy-N-(1-methylcyclopentyl)benzamide is COc1c(Oc2ccc(CCN)cc2)cc(C(=O)NC2(C)CCCC2)c(OC)c1OC.
What is the InChIKey of 5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxy-N-(1-methylcyclopentyl)benzamide?
The InChIKey is WYYDLTTWTAEEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5/c1-24(12-5-6-13-24)26-23(27)18-15-19(21(29-3)22(30-4)20(18)28-2)31-17-9-7-16(8-10-17)11-14-25/h7-10,15H,5-6,11-14,25H2,1-4H3,(H,26,27).
What are the key properties of 5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxy-N-(1-methylcyclopentyl)benzamide?
5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxy-N-(1-methylcyclopentyl)benzamide has a molecular weight of 428.53 g/mol, XLogP of 4.07, 9 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]-2,3,4-trimethoxy-N-(1-methylcyclopentyl)benzamide is sourced from PubChem (CID 171916109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).