2-[[2-(4-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-methylpropanamide

C20H23ClN2O3 — CID 132656360

IUPAC2-[[2-(4-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)N(CCc1ccccc1)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O3/c1-15(20(25)22-2)23(13-12-16-6-4-3-5-7-16)19(24)14-26-18-10-8-17(21)9-11-18/h3-11,15H,12-14H2,1-2H3,(H,22,25)
InChIKeyZVSIPNVGTLOCCA-UHFFFAOYSA-N
MW374.87 g/mol
LogP2.92
Rot. Bonds8

About 2-[[2-(4-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-methylpropanamide

2-[[2-(4-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-methylpropanamide (PubChem CID 132656360) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[[2-(4-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-methylpropanamide
PubChem CID132656360
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name2-[[2-(4-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)N(CCc1ccccc1)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O3/c1-15(20(25)22-2)23(13-12-16-6-4-3-5-7-16)19(24)14-26-18-10-8-17(21)9-11-18/h3-11,15H,12-14H2,1-2H3,(H,22,25)
InChIKeyZVSIPNVGTLOCCA-UHFFFAOYSA-N
XLogP2.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[[2-(4-chlorophenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 132708563
(2R)-N-[(2S)-butan-2-yl]-2-[[2-(4-chlorophenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 100625126
2-[[2-(4-chlorophenyl)acetyl]-(2-phenylethyl)amino]-N-methylpropanamide
CID 132654073
2-[[2-(4-ethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 132660432
(2R)-2-[[2-(4-bromophenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 100724639
2-[[2-(4-bromophenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 132674117
(2S)-2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylpropanamide
CID 100568123
2-[benzyl-(2-phenoxyacetyl)amino]-N-methylpropanamide
CID 132651116
(2S)-2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide
CID 100534858
(2R)-2-[[2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetyl]-(2-phenylethyl)amino]-N-methylpropanamide
CID 125066453
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-methylpropanamide
CID 132675380
(2S)-N-[(2S)-butan-2-yl]-2-[(2-phenoxyacetyl)-(2-phenylethyl)amino]propanamide
CID 100625010

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-methylpropanamide?
The IUPAC name of 2-[[2-(4-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-methylpropanamide (CID 132656360) is 2-[[2-(4-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-methylpropanamide.
What is the SMILES notation for 2-[[2-(4-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-methylpropanamide?
The canonical SMILES for 2-[[2-(4-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-methylpropanamide is CNC(=O)C(C)N(CCc1ccccc1)C(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-[[2-(4-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-methylpropanamide?
The InChIKey is ZVSIPNVGTLOCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-15(20(25)22-2)23(13-12-16-6-4-3-5-7-16)19(24)14-26-18-10-8-17(21)9-11-18/h3-11,15H,12-14H2,1-2H3,(H,22,25).
What are the key properties of 2-[[2-(4-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-methylpropanamide?
2-[[2-(4-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-methylpropanamide has a molecular weight of 374.87 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-methylpropanamide is sourced from PubChem (CID 132656360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).