2-[(3-chlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-methylpropanamide

C20H23ClN2O4 — CID 132763129

IUPAC2-[(3-chlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)N(Cc1cccc(Cl)c1)C(=O)COc1ccccc1OC
InChIInChI=1S/C20H23ClN2O4/c1-14(20(25)22-2)23(12-15-7-6-8-16(21)11-15)19(24)13-27-18-10-5-4-9-17(18)26-3/h4-11,14H,12-13H2,1-3H3,(H,22,25)
InChIKeyWQFRAKVJSDXGMH-UHFFFAOYSA-N
MW390.87 g/mol
LogP2.89
Rot. Bonds8

About 2-[(3-chlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-methylpropanamide

2-[(3-chlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-methylpropanamide (PubChem CID 132763129) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-methylpropanamide
PubChem CID132763129
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC Name2-[(3-chlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)N(Cc1cccc(Cl)c1)C(=O)COc1ccccc1OC
InChIInChI=1S/C20H23ClN2O4/c1-14(20(25)22-2)23(12-15-7-6-8-16(21)11-15)19(24)13-27-18-10-5-4-9-17(18)26-3/h4-11,14H,12-13H2,1-3H3,(H,22,25)
InChIKeyWQFRAKVJSDXGMH-UHFFFAOYSA-N
XLogP2.89
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(3-chlorophenyl)methyl-[2-(2-fluorophenoxy)acetyl]amino]-N-methylpropanamide
CID 100620282
2-[(3-chlorophenyl)methyl-[2-(2-fluorophenoxy)acetyl]amino]-N-methylpropanamide
CID 132762600
(2S)-2-[[2-(2-tert-butylphenoxy)acetyl]-[(3-chlorophenyl)methyl]amino]-N-methylpropanamide
CID 100620372
(2S)-2-[(3-chlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 100700533
(2S)-2-[(3-chlorophenyl)methyl-[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylpropanamide
CID 100616464
(2R)-2-[(3-chlorophenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-methylpropanamide
CID 100617677
2-[(3-methoxyphenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-methylpropanamide
CID 132655551
(2R)-2-[[2-(4-bromophenoxy)acetyl]-[(3-chlorophenyl)methyl]amino]-N-methylpropanamide
CID 100616980
2-[[2-(2-tert-butylphenoxy)acetyl]-[(3-chlorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 133236118
(2S)-2-[[2-(2-methoxyphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylpropanamide
CID 100568188
(2R)-2-[benzyl-[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-methylpropanamide
CID 100566003
2-[benzyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 132657876

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-methylpropanamide?
The IUPAC name of 2-[(3-chlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-methylpropanamide (CID 132763129) is 2-[(3-chlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-methylpropanamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-methylpropanamide?
The canonical SMILES for 2-[(3-chlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-methylpropanamide is CNC(=O)C(C)N(Cc1cccc(Cl)c1)C(=O)COc1ccccc1OC.
What is the InChIKey of 2-[(3-chlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-methylpropanamide?
The InChIKey is WQFRAKVJSDXGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4/c1-14(20(25)22-2)23(12-15-7-6-8-16(21)11-15)19(24)13-27-18-10-5-4-9-17(18)26-3/h4-11,14H,12-13H2,1-3H3,(H,22,25).
What are the key properties of 2-[(3-chlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-methylpropanamide?
2-[(3-chlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-methylpropanamide has a molecular weight of 390.87 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-methylpropanamide is sourced from PubChem (CID 132763129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).