2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-hydroxyethyl)propanamide

C21H25ClN2O4 — CID 133213649

IUPAC2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-hydroxyethyl)propanamide
SMILESCOc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)C(C)C(=O)NCCO)cc1
InChIInChI=1S/C21H25ClN2O4/c1-15(21(27)23-11-12-25)24(14-17-5-9-19(28-2)10-6-17)20(26)13-16-3-7-18(22)8-4-16/h3-10,15,25H,11-14H2,1-2H3,(H,23,27)
InChIKeyMZCBOAOTBDAKRV-UHFFFAOYSA-N
MW404.89 g/mol
LogP2.42
Rot. Bonds9

About 2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-hydroxyethyl)propanamide

2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-hydroxyethyl)propanamide (PubChem CID 133213649) has the molecular formula C21H25ClN2O4 and a molecular weight of 404.89 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-hydroxyethyl)propanamide
PubChem CID133213649
Molecular FormulaC21H25ClN2O4
Molecular Weight404.89 g/mol
Exact Mass404.15
IUPAC Name2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-hydroxyethyl)propanamide
SMILESCOc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)C(C)C(=O)NCCO)cc1
InChIInChI=1S/C21H25ClN2O4/c1-15(21(27)23-11-12-25)24(14-17-5-9-19(28-2)10-6-17)20(26)13-16-3-7-18(22)8-4-16/h3-10,15,25H,11-14H2,1-2H3,(H,23,27)
InChIKeyMZCBOAOTBDAKRV-UHFFFAOYSA-N
XLogP2.42
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.89
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-methoxyethyl)propanamide
CID 133213651
2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
CID 133213654
2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(2-hydroxyethyl)propanamide
CID 133213138
2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(4-methoxyphenyl)propanamide
CID 43820821
(2R)-2-[(4-methoxyphenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-propylpropanamide
CID 100528406
N-[(4-chlorophenyl)methyl]-N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]butanamide
CID 133149410
2-[[2-(4-chlorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-propylpropanamide
CID 132661956
2-[(3-chlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-propylpropanamide
CID 132763717
2-[[2-(4-methoxyphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 132704751
2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethylbutanamide
CID 132661957
(2R)-2-[(3,4-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-propylpropanamide
CID 100508676
(2R)-2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100680950

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-hydroxyethyl)propanamide?
The IUPAC name of 2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-hydroxyethyl)propanamide (CID 133213649) is 2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for 2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-hydroxyethyl)propanamide is COc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)C(C)C(=O)NCCO)cc1.
What is the InChIKey of 2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-hydroxyethyl)propanamide?
The InChIKey is MZCBOAOTBDAKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4/c1-15(21(27)23-11-12-25)24(14-17-5-9-19(28-2)10-6-17)20(26)13-16-3-7-18(22)8-4-16/h3-10,15,25H,11-14H2,1-2H3,(H,23,27).
What are the key properties of 2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-hydroxyethyl)propanamide?
2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-hydroxyethyl)propanamide has a molecular weight of 404.89 g/mol, XLogP of 2.42, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 133213649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).