N-benzyl-5-[2-ethyl-4-[3-(2-hydroxyethylamino)-3-oxopropyl]-6-methylphenoxy]-2-hydroxybenzamide

C28H32N2O5 — CID 123373893

IUPACN-benzyl-5-[2-ethyl-4-[3-(2-hydroxyethylamino)-3-oxopropyl]-6-methylphenoxy]-2-hydroxybenzamide
SMILESCCc1cc(CCC(=O)NCCO)cc(C)c1Oc1ccc(O)c(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C28H32N2O5/c1-3-22-16-21(9-12-26(33)29-13-14-31)15-19(2)27(22)35-23-10-11-25(32)24(17-23)28(34)30-18-20-7-5-4-6-8-20/h4-8,10-11,15-17,31-32H,3,9,12-14,18H2,1-2H3,(H,29,33)(H,30,34)
InChIKeyMZOXUOUWQKSLCV-UHFFFAOYSA-N
MW476.57 g/mol
LogP4.03
Rot. Bonds11

About N-benzyl-5-[2-ethyl-4-[3-(2-hydroxyethylamino)-3-oxopropyl]-6-methylphenoxy]-2-hydroxybenzamide

N-benzyl-5-[2-ethyl-4-[3-(2-hydroxyethylamino)-3-oxopropyl]-6-methylphenoxy]-2-hydroxybenzamide (PubChem CID 123373893) has the molecular formula C28H32N2O5 and a molecular weight of 476.57 g/mol. Its IUPAC name is N-benzyl-5-[2-ethyl-4-[3-(2-hydroxyethylamino)-3-oxopropyl]-6-methylphenoxy]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-benzyl-5-[2-ethyl-4-[3-(2-hydroxyethylamino)-3-oxopropyl]-6-methylphenoxy]-2-hydroxybenzamide
PubChem CID123373893
Molecular FormulaC28H32N2O5
Molecular Weight476.57 g/mol
Exact Mass476.23
IUPAC NameN-benzyl-5-[2-ethyl-4-[3-(2-hydroxyethylamino)-3-oxopropyl]-6-methylphenoxy]-2-hydroxybenzamide
SMILESCCc1cc(CCC(=O)NCCO)cc(C)c1Oc1ccc(O)c(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C28H32N2O5/c1-3-22-16-21(9-12-26(33)29-13-14-31)15-19(2)27(22)35-23-10-11-25(32)24(17-23)28(34)30-18-20-7-5-4-6-8-20/h4-8,10-11,15-17,31-32H,3,9,12-14,18H2,1-2H3,(H,29,33)(H,30,34)
InChIKeyMZOXUOUWQKSLCV-UHFFFAOYSA-N
XLogP4.03
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.57
LogP ≤ 54.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-5-(2,6-dimethyl-4-propylphenoxy)-2-hydroxybenzamide;ethane;N-(2-hydroxyethyl)formamide
CID 144504953
5-(4-amino-2,6-dimethylphenoxy)-N-benzyl-2-hydroxybenzamide
CID 59041777
N-benzyl-5-(2,6-dimethyl-4-propylphenoxy)-2-hydroxybenzamide;ethane;N-methylsulfanylformamide
CID 144504914
5-[2,6-dimethyl-4-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-oxopropyl]phenoxy]-2-hydroxy-N-phenylbenzamide
CID 144504692
5-[2,6-dimethyl-4-[3-oxo-3-(sulfanylamino)propyl]phenoxy]-2-hydroxybenzamide
CID 144504712
N-(2-hydroxyethyl)-3-[3-(4-hydroxyphenoxy)-2,4-dimethylphenyl]propanamide
CID 123902032
N-(2-ethoxyethyl)-3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propanamide
CID 123574671
cyclohexa-1,3-dien-1-ylmethyl N-[4-[3-(benzylcarbamoyl)-4-hydroxyphenoxy]-3,5-dimethylphenyl]carbamate
CID 142113617
3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-(2-propoxyethyl)propanamide
CID 123425395
2-hydroxy-5-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 11086863
N-benzyl-3-(2-hydroxyphenyl)propanamide
CID 3438013
2-hydroxy-5-methoxy-N-[(3-methylphenyl)methyl]benzamide
CID 60728918

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[2-ethyl-4-[3-(2-hydroxyethylamino)-3-oxopropyl]-6-methylphenoxy]-2-hydroxybenzamide?
The IUPAC name of N-benzyl-5-[2-ethyl-4-[3-(2-hydroxyethylamino)-3-oxopropyl]-6-methylphenoxy]-2-hydroxybenzamide (CID 123373893) is N-benzyl-5-[2-ethyl-4-[3-(2-hydroxyethylamino)-3-oxopropyl]-6-methylphenoxy]-2-hydroxybenzamide.
What is the SMILES notation for N-benzyl-5-[2-ethyl-4-[3-(2-hydroxyethylamino)-3-oxopropyl]-6-methylphenoxy]-2-hydroxybenzamide?
The canonical SMILES for N-benzyl-5-[2-ethyl-4-[3-(2-hydroxyethylamino)-3-oxopropyl]-6-methylphenoxy]-2-hydroxybenzamide is CCc1cc(CCC(=O)NCCO)cc(C)c1Oc1ccc(O)c(C(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-5-[2-ethyl-4-[3-(2-hydroxyethylamino)-3-oxopropyl]-6-methylphenoxy]-2-hydroxybenzamide?
The InChIKey is MZOXUOUWQKSLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O5/c1-3-22-16-21(9-12-26(33)29-13-14-31)15-19(2)27(22)35-23-10-11-25(32)24(17-23)28(34)30-18-20-7-5-4-6-8-20/h4-8,10-11,15-17,31-32H,3,9,12-14,18H2,1-2H3,(H,29,33)(H,30,34).
What are the key properties of N-benzyl-5-[2-ethyl-4-[3-(2-hydroxyethylamino)-3-oxopropyl]-6-methylphenoxy]-2-hydroxybenzamide?
N-benzyl-5-[2-ethyl-4-[3-(2-hydroxyethylamino)-3-oxopropyl]-6-methylphenoxy]-2-hydroxybenzamide has a molecular weight of 476.57 g/mol, XLogP of 4.03, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[2-ethyl-4-[3-(2-hydroxyethylamino)-3-oxopropyl]-6-methylphenoxy]-2-hydroxybenzamide is sourced from PubChem (CID 123373893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).