3-acetamido-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-3-(4-methylphenyl)propanamide

C21H25ClN2O3 — CID 46528889

IUPAC3-acetamido-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-3-(4-methylphenyl)propanamide
SMILESCC(=O)NC(CC(=O)N(C)CCOc1ccccc1Cl)c1ccc(C)cc1
InChIInChI=1S/C21H25ClN2O3/c1-15-8-10-17(11-9-15)19(23-16(2)25)14-21(26)24(3)12-13-27-20-7-5-4-6-18(20)22/h4-11,19H,12-14H2,1-3H3,(H,23,25)
InChIKeyKHSYDUIEKWJOTN-UHFFFAOYSA-N
MW388.90 g/mol
LogP3.75
Rot. Bonds8

About 3-acetamido-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-3-(4-methylphenyl)propanamide

3-acetamido-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-3-(4-methylphenyl)propanamide (PubChem CID 46528889) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is 3-acetamido-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-3-(4-methylphenyl)propanamide
PubChem CID46528889
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC Name3-acetamido-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-3-(4-methylphenyl)propanamide
SMILESCC(=O)NC(CC(=O)N(C)CCOc1ccccc1Cl)c1ccc(C)cc1
InChIInChI=1S/C21H25ClN2O3/c1-15-8-10-17(11-9-15)19(23-16(2)25)14-21(26)24(3)12-13-27-20-7-5-4-6-18(20)22/h4-11,19H,12-14H2,1-3H3,(H,23,25)
InChIKeyKHSYDUIEKWJOTN-UHFFFAOYSA-N
XLogP3.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(2-chlorophenoxy)ethyl-methylamino]-3-methyl-5-oxopentanoic acid
CID 62964900
3-acetamido-N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-thiophen-2-ylpropanamide
CID 42931784
3-acetamido-N-methyl-3-(4-methylphenyl)-N-(2-methylpropyl)propanamide
CID 134058928
N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949715
4-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307914
N-[2-(2-chlorophenoxy)ethyl]-4-hydroxy-N-methylpentanamide
CID 79200106
2-chloro-N-[2-[2-(2-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]benzamide
CID 24551197
3-[3-(2-chlorophenoxy)propanoyl-methylamino]propanoic acid
CID 60988513
(2S)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpropanamide
CID 93368333
N-[2-[2-(2-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18119370
2-phenoxyethyl 3-acetamido-3-(4-methylphenyl)propanoate
CID 86906524
(3R)-3-acetamido-3-(4-methylphenyl)propanoic acid
CID 25323198

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-3-(4-methylphenyl)propanamide?
The IUPAC name of 3-acetamido-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-3-(4-methylphenyl)propanamide (CID 46528889) is 3-acetamido-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-3-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-acetamido-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-3-(4-methylphenyl)propanamide?
The canonical SMILES for 3-acetamido-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-3-(4-methylphenyl)propanamide is CC(=O)NC(CC(=O)N(C)CCOc1ccccc1Cl)c1ccc(C)cc1.
What is the InChIKey of 3-acetamido-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-3-(4-methylphenyl)propanamide?
The InChIKey is KHSYDUIEKWJOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c1-15-8-10-17(11-9-15)19(23-16(2)25)14-21(26)24(3)12-13-27-20-7-5-4-6-18(20)22/h4-11,19H,12-14H2,1-3H3,(H,23,25).
What are the key properties of 3-acetamido-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-3-(4-methylphenyl)propanamide?
3-acetamido-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-3-(4-methylphenyl)propanamide has a molecular weight of 388.90 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 46528889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).