(2S)-2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylpropanamide

C20H23ClN2O3 — CID 100568123

IUPAC(2S)-2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylpropanamide
SMILESCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O3/c1-14-6-4-5-7-16(14)12-23(15(2)20(25)22-3)19(24)13-26-18-10-8-17(21)9-11-18/h4-11,15H,12-13H2,1-3H3,(H,22,25)/t15-/m0/s1
InChIKeyCWAKZWGFUCCPMT-HNNXBMFYSA-N
MW374.87 g/mol
LogP3.19
Rot. Bonds7

About (2S)-2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylpropanamide

(2S)-2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylpropanamide (PubChem CID 100568123) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is (2S)-2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylpropanamide
PubChem CID100568123
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name(2S)-2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylpropanamide
SMILESCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O3/c1-14-6-4-5-7-16(14)12-23(15(2)20(25)22-3)19(24)13-26-18-10-8-17(21)9-11-18/h4-11,15H,12-13H2,1-3H3,(H,22,25)/t15-/m0/s1
InChIKeyCWAKZWGFUCCPMT-HNNXBMFYSA-N
XLogP3.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100647925
2-[[2-(4-methoxyphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylpropanamide
CID 132655540
N-tert-butyl-2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132708564
2-[[2-(4-tert-butylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylpropanamide
CID 132660455
2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132612046
2-[[2-(4-bromophenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]-N-methylpropanamide
CID 132671942
(2R)-2-[[2-(4-fluorophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-methylpropanamide
CID 100633185
(2S)-2-[[2-(2-methoxyphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylpropanamide
CID 100568188
2-[[2-(4-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-methylpropanamide
CID 132656360
2-[(4-chlorophenyl)methyl-[2-(4-iodophenoxy)acetyl]amino]-N-methylpropanamide
CID 132677805
(2S)-2-[[2-(4-tert-butylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-methylpropanamide
CID 100630666
2-[[2-(4-chlorophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-ethylpropanamide
CID 132763275

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylpropanamide?
The IUPAC name of (2S)-2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylpropanamide (CID 100568123) is (2S)-2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylpropanamide.
What is the SMILES notation for (2S)-2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylpropanamide?
The canonical SMILES for (2S)-2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylpropanamide is CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylpropanamide?
The InChIKey is CWAKZWGFUCCPMT-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-14-6-4-5-7-16(14)12-23(15(2)20(25)22-3)19(24)13-26-18-10-8-17(21)9-11-18/h4-11,15H,12-13H2,1-3H3,(H,22,25)/t15-/m0/s1.
What are the key properties of (2S)-2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylpropanamide?
(2S)-2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylpropanamide has a molecular weight of 374.87 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylpropanamide is sourced from PubChem (CID 100568123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).