N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-[2-(3,4-dimethylphenoxy)acetyl]amino]propanamide

C25H30Cl2N2O3 — CID 132616392

IUPACN-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-[2-(3,4-dimethylphenoxy)acetyl]amino]propanamide
SMILESCc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)C(C)C(=O)NC2CCCC2)cc1C
InChIInChI=1S/C25H30Cl2N2O3/c1-16-8-11-22(12-17(16)2)32-15-24(30)29(14-19-9-10-20(26)13-23(19)27)18(3)25(31)28-21-6-4-5-7-21/h8-13,18,21H,4-7,14-15H2,1-3H3,(H,28,31)
InChIKeyDEMYSSZSFGFQPM-UHFFFAOYSA-N
MW477.43 g/mol
LogP5.47
Rot. Bonds8

About N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-[2-(3,4-dimethylphenoxy)acetyl]amino]propanamide

N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-[2-(3,4-dimethylphenoxy)acetyl]amino]propanamide (PubChem CID 132616392) has the molecular formula C25H30Cl2N2O3 and a molecular weight of 477.43 g/mol. Its IUPAC name is N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-[2-(3,4-dimethylphenoxy)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-[2-(3,4-dimethylphenoxy)acetyl]amino]propanamide
PubChem CID132616392
Molecular FormulaC25H30Cl2N2O3
Molecular Weight477.43 g/mol
Exact Mass476.16
IUPAC NameN-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-[2-(3,4-dimethylphenoxy)acetyl]amino]propanamide
SMILESCc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)C(C)C(=O)NC2CCCC2)cc1C
InChIInChI=1S/C25H30Cl2N2O3/c1-16-8-11-22(12-17(16)2)32-15-24(30)29(14-19-9-10-20(26)13-23(19)27)18(3)25(31)28-21-6-4-5-7-21/h8-13,18,21H,4-7,14-15H2,1-3H3,(H,28,31)
InChIKeyDEMYSSZSFGFQPM-UHFFFAOYSA-N
XLogP5.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.43
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-bromo-3-methylphenoxy)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132627988
2-[(3-chlorophenyl)methyl-[2-(3,4-dimethylphenoxy)acetyl]amino]-N-cyclopentylpropanamide
CID 133198430
2-[(2,4-dichlorophenyl)methyl-[2-(3,4-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide
CID 132671236
(2S)-2-[(3-chlorophenyl)methyl-[2-(3,4-dimethylphenoxy)acetyl]amino]-N-cyclohexylpropanamide
CID 100551943
(2S)-2-[[2-(4-chloro-3-methylphenoxy)acetyl]-[(3-chlorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100552425
N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-propanoylamino]propanamide
CID 132762203
(2S)-2-[[2-(4-chloro-3-methylphenoxy)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 100531880
(2R)-2-[[2-(4-chloro-3-methylphenoxy)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 100531890
N-cyclopentyl-2-[[2-(3,4-dimethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132611548
2-[benzyl-[2-(3,4-dimethylphenoxy)acetyl]amino]-N-cyclohexylpropanamide
CID 132947942
2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132612046
2-[[2-(3-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132612030

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-[2-(3,4-dimethylphenoxy)acetyl]amino]propanamide?
The IUPAC name of N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-[2-(3,4-dimethylphenoxy)acetyl]amino]propanamide (CID 132616392) is N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-[2-(3,4-dimethylphenoxy)acetyl]amino]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-[2-(3,4-dimethylphenoxy)acetyl]amino]propanamide?
The canonical SMILES for N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-[2-(3,4-dimethylphenoxy)acetyl]amino]propanamide is Cc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)C(C)C(=O)NC2CCCC2)cc1C.
What is the InChIKey of N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-[2-(3,4-dimethylphenoxy)acetyl]amino]propanamide?
The InChIKey is DEMYSSZSFGFQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30Cl2N2O3/c1-16-8-11-22(12-17(16)2)32-15-24(30)29(14-19-9-10-20(26)13-23(19)27)18(3)25(31)28-21-6-4-5-7-21/h8-13,18,21H,4-7,14-15H2,1-3H3,(H,28,31).
What are the key properties of N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-[2-(3,4-dimethylphenoxy)acetyl]amino]propanamide?
N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-[2-(3,4-dimethylphenoxy)acetyl]amino]propanamide has a molecular weight of 477.43 g/mol, XLogP of 5.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-[2-(3,4-dimethylphenoxy)acetyl]amino]propanamide is sourced from PubChem (CID 132616392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).