N-cyclopentyl-2-[(2,6-dichlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]propanamide

C24H28Cl2N2O3 — CID 132614522

IUPACN-cyclopentyl-2-[(2,6-dichlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]propanamide
SMILESCc1cccc(OCC(=O)N(Cc2c(Cl)cccc2Cl)C(C)C(=O)NC2CCCC2)c1
InChIInChI=1S/C24H28Cl2N2O3/c1-16-7-5-10-19(13-16)31-15-23(29)28(14-20-21(25)11-6-12-22(20)26)17(2)24(30)27-18-8-3-4-9-18/h5-7,10-13,17-18H,3-4,8-9,14-15H2,1-2H3,(H,27,30)
InChIKeyGUWGXUWEJIQROO-UHFFFAOYSA-N
MW463.41 g/mol
LogP5.16
Rot. Bonds8

About N-cyclopentyl-2-[(2,6-dichlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]propanamide

N-cyclopentyl-2-[(2,6-dichlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]propanamide (PubChem CID 132614522) has the molecular formula C24H28Cl2N2O3 and a molecular weight of 463.41 g/mol. Its IUPAC name is N-cyclopentyl-2-[(2,6-dichlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(2,6-dichlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]propanamide
PubChem CID132614522
Molecular FormulaC24H28Cl2N2O3
Molecular Weight463.41 g/mol
Exact Mass462.15
IUPAC NameN-cyclopentyl-2-[(2,6-dichlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]propanamide
SMILESCc1cccc(OCC(=O)N(Cc2c(Cl)cccc2Cl)C(C)C(=O)NC2CCCC2)c1
InChIInChI=1S/C24H28Cl2N2O3/c1-16-7-5-10-19(13-16)31-15-23(29)28(14-20-21(25)11-6-12-22(20)26)17(2)24(30)27-18-8-3-4-9-18/h5-7,10-13,17-18H,3-4,8-9,14-15H2,1-2H3,(H,27,30)
InChIKeyGUWGXUWEJIQROO-UHFFFAOYSA-N
XLogP5.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.41
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2,6-dichlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 100710877
N-cyclopentyl-2-[[2-(3-methylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132985756
N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide
CID 132614274
(2S)-2-[[2-(2-chlorophenoxy)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100505210
N-cyclopentyl-2-[(2,6-dichlorophenyl)methyl-[2-(3,5-dimethylphenoxy)acetyl]amino]butanamide
CID 132618215
(2R)-N-cyclohexyl-2-[[2-(2,4-dichlorophenoxy)acetyl]-[(2,6-dichlorophenyl)methyl]amino]propanamide
CID 100501532
N-cyclohexyl-2-[(2-fluorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]propanamide
CID 133174936
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-cyclopentylpropanamide
CID 132629089
(2S)-2-[(2,6-dichlorophenyl)methyl-[2-(3,5-dimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 100708951
(2R)-N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide
CID 100501573
(2R)-2-[[2-(3-chlorophenoxy)acetyl]-[(3-chlorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100553664
(2S)-2-[(2-chlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-N-cyclohexylbutanamide
CID 100555429

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(2,6-dichlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]propanamide?
The IUPAC name of N-cyclopentyl-2-[(2,6-dichlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]propanamide (CID 132614522) is N-cyclopentyl-2-[(2,6-dichlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[(2,6-dichlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]propanamide?
The canonical SMILES for N-cyclopentyl-2-[(2,6-dichlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]propanamide is Cc1cccc(OCC(=O)N(Cc2c(Cl)cccc2Cl)C(C)C(=O)NC2CCCC2)c1.
What is the InChIKey of N-cyclopentyl-2-[(2,6-dichlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]propanamide?
The InChIKey is GUWGXUWEJIQROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl2N2O3/c1-16-7-5-10-19(13-16)31-15-23(29)28(14-20-21(25)11-6-12-22(20)26)17(2)24(30)27-18-8-3-4-9-18/h5-7,10-13,17-18H,3-4,8-9,14-15H2,1-2H3,(H,27,30).
What are the key properties of N-cyclopentyl-2-[(2,6-dichlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]propanamide?
N-cyclopentyl-2-[(2,6-dichlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]propanamide has a molecular weight of 463.41 g/mol, XLogP of 5.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(2,6-dichlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]propanamide is sourced from PubChem (CID 132614522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).