N-[1-[(2,4-dichlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide

C28H30Cl2N2O3 — CID 133236582

IUPACN-[1-[(2,4-dichlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide
SMILESCOc1ccc(CN(C(=O)C(C)C)C(Cc2ccccc2)C(=O)NCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C28H30Cl2N2O3/c1-19(2)28(34)32(18-21-9-13-24(35-3)14-10-21)26(15-20-7-5-4-6-8-20)27(33)31-17-22-11-12-23(29)16-25(22)30/h4-14,16,19,26H,15,17-18H2,1-3H3,(H,31,33)
InChIKeySVHFYJMNUCRFGF-UHFFFAOYSA-N
MW513.47 g/mol
LogP5.91
Rot. Bonds10

About N-[1-[(2,4-dichlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide

N-[1-[(2,4-dichlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide (PubChem CID 133236582) has the molecular formula C28H30Cl2N2O3 and a molecular weight of 513.47 g/mol. Its IUPAC name is N-[1-[(2,4-dichlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[(2,4-dichlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide
PubChem CID133236582
Molecular FormulaC28H30Cl2N2O3
Molecular Weight513.47 g/mol
Exact Mass512.16
IUPAC NameN-[1-[(2,4-dichlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide
SMILESCOc1ccc(CN(C(=O)C(C)C)C(Cc2ccccc2)C(=O)NCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C28H30Cl2N2O3/c1-19(2)28(34)32(18-21-9-13-24(35-3)14-10-21)26(15-20-7-5-4-6-8-20)27(33)31-17-22-11-12-23(29)16-25(22)30/h4-14,16,19,26H,15,17-18H2,1-3H3,(H,31,33)
InChIKeySVHFYJMNUCRFGF-UHFFFAOYSA-N
XLogP5.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.47
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]-3-phenylpropanamide
CID 133236412
N-[(2,4-dichlorophenyl)methyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 133236648
2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]-2-phenylacetamide
CID 133238852
2-[(2,4-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-ethyl-3-phenylpropanamide
CID 132619218
N-[(4-methoxyphenyl)methyl]-N-[1-(3-methoxypropylamino)-1-oxo-3-phenylpropan-2-yl]-2-methylpropanamide
CID 133236577
N-[(4-chlorophenyl)methyl]-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxo-1-phenylethyl]-2-methylpropanamide
CID 133237652
N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 133213573
N-[(4-chlorophenyl)methyl]-2-methyl-N-[1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]propanamide
CID 133214590
2-[(2,4-dichlorophenyl)methyl-[2-(4-methoxyphenoxy)acetyl]amino]-3-phenyl-N-propylpropanamide
CID 132623433
2-[(2,4-dichlorophenyl)methyl-[2-[(4-methoxyphenyl)methylsulfanyl]acetyl]amino]-3-phenyl-N-propylpropanamide
CID 132628453
N-[(4-fluorophenyl)methyl]-N-[1-[(2-methoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]-2-methylpropanamide
CID 133215138
2-[[2-[benzyl(methylsulfonyl)amino]acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]-2-phenylacetamide
CID 133238405

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,4-dichlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide?
The IUPAC name of N-[1-[(2,4-dichlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide (CID 133236582) is N-[1-[(2,4-dichlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[1-[(2,4-dichlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[1-[(2,4-dichlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide is COc1ccc(CN(C(=O)C(C)C)C(Cc2ccccc2)C(=O)NCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[1-[(2,4-dichlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide?
The InChIKey is SVHFYJMNUCRFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30Cl2N2O3/c1-19(2)28(34)32(18-21-9-13-24(35-3)14-10-21)26(15-20-7-5-4-6-8-20)27(33)31-17-22-11-12-23(29)16-25(22)30/h4-14,16,19,26H,15,17-18H2,1-3H3,(H,31,33).
What are the key properties of N-[1-[(2,4-dichlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide?
N-[1-[(2,4-dichlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide has a molecular weight of 513.47 g/mol, XLogP of 5.91, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,4-dichlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 133236582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).