2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-ethylpropanamide

C23H29ClN2O3 — CID 132665263

IUPAC2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)N(CCc1ccccc1)C(=O)COc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C23H29ClN2O3/c1-5-25-23(28)18(4)26(12-11-19-9-7-6-8-10-19)21(27)15-29-20-13-16(2)22(24)17(3)14-20/h6-10,13-14,18H,5,11-12,15H2,1-4H3,(H,25,28)
InChIKeyCCLNDEWEWDVAOO-UHFFFAOYSA-N
MW416.95 g/mol
LogP3.93
Rot. Bonds9

About 2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-ethylpropanamide

2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-ethylpropanamide (PubChem CID 132665263) has the molecular formula C23H29ClN2O3 and a molecular weight of 416.95 g/mol. Its IUPAC name is 2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-ethylpropanamide
PubChem CID132665263
Molecular FormulaC23H29ClN2O3
Molecular Weight416.95 g/mol
Exact Mass416.19
IUPAC Name2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)N(CCc1ccccc1)C(=O)COc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C23H29ClN2O3/c1-5-25-23(28)18(4)26(12-11-19-9-7-6-8-10-19)21(27)15-29-20-13-16(2)22(24)17(3)14-20/h6-10,13-14,18H,5,11-12,15H2,1-4H3,(H,25,28)
InChIKeyCCLNDEWEWDVAOO-UHFFFAOYSA-N
XLogP3.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.95
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-ethylpropanamide with MolForge

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Related Compounds

(2S)-N-[(2S)-butan-2-yl]-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 100635911
N-butan-2-yl-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 132715391
(2S)-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
CID 100513778
N-ethyl-2-[2-phenylethyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide
CID 132660529
2-[(3-bromophenyl)methyl-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide
CID 132616983
2-[[2-(4-chloro-3-methylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 132665272
N-butyl-2-[[2-(3-chlorophenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 132708529
2-[[2-(3,4-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 132660393
(2R)-2-[[2-(2,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propylpropanamide
CID 100534809
2-[[2-(4-bromo-3-methylphenoxy)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)propanamide
CID 132723771
(2S)-2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide
CID 100534858
2-[[2-(2,4-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propylpropanamide
CID 132660352

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-ethylpropanamide?
The IUPAC name of 2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-ethylpropanamide (CID 132665263) is 2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-ethylpropanamide?
The canonical SMILES for 2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-ethylpropanamide is CCNC(=O)C(C)N(CCc1ccccc1)C(=O)COc1cc(C)c(Cl)c(C)c1.
What is the InChIKey of 2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-ethylpropanamide?
The InChIKey is CCLNDEWEWDVAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O3/c1-5-25-23(28)18(4)26(12-11-19-9-7-6-8-10-19)21(27)15-29-20-13-16(2)22(24)17(3)14-20/h6-10,13-14,18H,5,11-12,15H2,1-4H3,(H,25,28).
What are the key properties of 2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-ethylpropanamide?
2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-ethylpropanamide has a molecular weight of 416.95 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-ethylpropanamide is sourced from PubChem (CID 132665263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).