N-[4-[[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]methyl]phenyl]acetamide

C21H28N2O2 — CID 23848174

IUPACN-[4-[[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]methyl]phenyl]acetamide
SMILESCCN(Cc1ccc(NC(C)=O)cc1)C(C)Cc1ccc(OC)cc1
InChIInChI=1S/C21H28N2O2/c1-5-23(15-19-6-10-20(11-7-19)22-17(3)24)16(2)14-18-8-12-21(25-4)13-9-18/h6-13,16H,5,14-15H2,1-4H3,(H,22,24)
InChIKeySTTJYLGHRDTKJM-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.11
Rot. Bonds8

About N-[4-[[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]methyl]phenyl]acetamide

N-[4-[[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]methyl]phenyl]acetamide (PubChem CID 23848174) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[4-[[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]methyl]phenyl]acetamide
PubChem CID23848174
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-[4-[[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]methyl]phenyl]acetamide
SMILESCCN(Cc1ccc(NC(C)=O)cc1)C(C)Cc1ccc(OC)cc1
InChIInChI=1S/C21H28N2O2/c1-5-23(15-19-6-10-20(11-7-19)22-17(3)24)16(2)14-18-8-12-21(25-4)13-9-18/h6-13,16H,5,14-15H2,1-4H3,(H,22,24)
InChIKeySTTJYLGHRDTKJM-UHFFFAOYSA-N
XLogP4.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-acetamidophenyl)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]prop-2-enamide
CID 72689503
2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)propanamide
CID 18078718
N-(4-acetamidophenyl)-2-[acetyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 113163156
N-[4-[(4-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 6462480
1-(4-methoxyphenyl)-3-[4-(2-sulfanylpropyl)phenyl]urea
CID 137474747
(2R)-N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]propanamide
CID 9322127
2-(4-acetamidophenyl)-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 108792620
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-ethylphenyl)acetamide
CID 113163115
4-[[2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]acetyl]amino]benzamide
CID 24564680
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate
CID 9060989
7-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]heptanoic acid;hydrochloride
CID 70613084
N-[4-[[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]acetamide
CID 141361158

Frequently Asked Questions

What is the IUPAC name of N-[4-[[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]methyl]phenyl]acetamide (CID 23848174) is N-[4-[[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]methyl]phenyl]acetamide is CCN(Cc1ccc(NC(C)=O)cc1)C(C)Cc1ccc(OC)cc1.
What is the InChIKey of N-[4-[[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]methyl]phenyl]acetamide?
The InChIKey is STTJYLGHRDTKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-5-23(15-19-6-10-20(11-7-19)22-17(3)24)16(2)14-18-8-12-21(25-4)13-9-18/h6-13,16H,5,14-15H2,1-4H3,(H,22,24).
What are the key properties of N-[4-[[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]methyl]phenyl]acetamide?
N-[4-[[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]methyl]phenyl]acetamide has a molecular weight of 340.47 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 23848174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).