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

C22H27ClN2O4 — CID 133213651

IUPAC2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C22H27ClN2O4/c1-16(22(27)24-12-13-28-2)25(15-18-6-10-20(29-3)11-7-18)21(26)14-17-4-8-19(23)9-5-17/h4-11,16H,12-15H2,1-3H3,(H,24,27)
InChIKeyNACHVBFLOQGMSO-UHFFFAOYSA-N
MW418.92 g/mol
LogP3.07
Rot. Bonds10

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

2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-methoxyethyl)propanamide (PubChem CID 133213651) has the molecular formula C22H27ClN2O4 and a molecular weight of 418.92 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-methoxyethyl)propanamide
PubChem CID133213651
Molecular FormulaC22H27ClN2O4
Molecular Weight418.92 g/mol
Exact Mass418.17
IUPAC Name2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C22H27ClN2O4/c1-16(22(27)24-12-13-28-2)25(15-18-6-10-20(29-3)11-7-18)21(26)14-17-4-8-19(23)9-5-17/h4-11,16H,12-15H2,1-3H3,(H,24,27)
InChIKeyNACHVBFLOQGMSO-UHFFFAOYSA-N
XLogP3.07
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.92
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-hydroxyethyl)propanamide
CID 133213649
2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
CID 133213654
2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-methoxyethyl)propanamide
CID 133149381
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-methoxyethyl)propanamide?
The IUPAC name of 2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-methoxyethyl)propanamide (CID 133213651) is 2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-methoxyethyl)propanamide?
The InChIKey is NACHVBFLOQGMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O4/c1-16(22(27)24-12-13-28-2)25(15-18-6-10-20(29-3)11-7-18)21(26)14-17-4-8-19(23)9-5-17/h4-11,16H,12-15H2,1-3H3,(H,24,27).
What are the key properties of 2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-methoxyethyl)propanamide?
2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-methoxyethyl)propanamide has a molecular weight of 418.92 g/mol, XLogP of 3.07, 10 rotatable bonds, 1 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-methoxyethyl)propanamide is sourced from PubChem (CID 133213651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).