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

C27H29ClN2O3 — CID 133213654

IUPAC2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
SMILESCOc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)C(C)C(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C27H29ClN2O3/c1-19-4-6-22(7-5-19)17-29-27(32)20(2)30(18-23-10-14-25(33-3)15-11-23)26(31)16-21-8-12-24(28)13-9-21/h4-15,20H,16-18H2,1-3H3,(H,29,32)
InChIKeyVFHQOCUWCSUYKS-UHFFFAOYSA-N
MW464.99 g/mol
LogP4.93
Rot. Bonds9

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

2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 133213654) has the molecular formula C27H29ClN2O3 and a molecular weight of 464.99 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
PubChem CID133213654
Molecular FormulaC27H29ClN2O3
Molecular Weight464.99 g/mol
Exact Mass464.19
IUPAC Name2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
SMILESCOc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)C(C)C(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C27H29ClN2O3/c1-19-4-6-22(7-5-19)17-29-27(32)20(2)30(18-23-10-14-25(33-3)15-11-23)26(31)16-21-8-12-24(28)13-9-21/h4-15,20H,16-18H2,1-3H3,(H,29,32)
InChIKeyVFHQOCUWCSUYKS-UHFFFAOYSA-N
XLogP4.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.99
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
CID 133213144
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-(2-methoxyethyl)propanamide
CID 133213651
(2R)-2-[(4-methoxyphenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-propylpropanamide
CID 100528406
2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
CID 133213398
N-[(4-chlorophenyl)methyl]-N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]butanamide
CID 133149410
2-[[2-(4-methoxyphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 132704751
2-[benzyl-(2-phenylacetyl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 133148959
(2R)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)methyl-[2-(4-methylphenyl)acetyl]amino]propanamide
CID 100620942
2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(4-methoxyphenyl)propanamide
CID 43820821
2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(pyridin-4-ylmethyl)propanamide
CID 133149475
2-[[2-(4-chlorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-propylpropanamide
CID 132661956

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide (CID 133213654) is 2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide is COc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)C(C)C(=O)NCc2ccc(C)cc2)cc1.
What is the InChIKey of 2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is VFHQOCUWCSUYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN2O3/c1-19-4-6-22(7-5-19)17-29-27(32)20(2)30(18-23-10-14-25(33-3)15-11-23)26(31)16-21-8-12-24(28)13-9-21/h4-15,20H,16-18H2,1-3H3,(H,29,32).
What are the key properties of 2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide?
2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 464.99 g/mol, XLogP of 4.93, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 133213654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).