2-[[2-(2-chlorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-cyclopentylpropanamide

C24H29ClN2O4 — CID 132612233

IUPAC2-[[2-(2-chlorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-cyclopentylpropanamide
SMILESCOc1cccc(CN(C(=O)COc2ccccc2Cl)C(C)C(=O)NC2CCCC2)c1
InChIInChI=1S/C24H29ClN2O4/c1-17(24(29)26-19-9-3-4-10-19)27(15-18-8-7-11-20(14-18)30-2)23(28)16-31-22-13-6-5-12-21(22)25/h5-8,11-14,17,19H,3-4,9-10,15-16H2,1-2H3,(H,26,29)
InChIKeyGUFLQQYPIOTYHB-UHFFFAOYSA-N
MW444.96 g/mol
LogP4.20
Rot. Bonds9

About 2-[[2-(2-chlorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-cyclopentylpropanamide

2-[[2-(2-chlorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-cyclopentylpropanamide (PubChem CID 132612233) has the molecular formula C24H29ClN2O4 and a molecular weight of 444.96 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-[[2-(2-chlorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-cyclopentylpropanamide
PubChem CID132612233
Molecular FormulaC24H29ClN2O4
Molecular Weight444.96 g/mol
Exact Mass444.18
IUPAC Name2-[[2-(2-chlorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-cyclopentylpropanamide
SMILESCOc1cccc(CN(C(=O)COc2ccccc2Cl)C(C)C(=O)NC2CCCC2)c1
InChIInChI=1S/C24H29ClN2O4/c1-17(24(29)26-19-9-3-4-10-19)27(15-18-8-7-11-20(14-18)30-2)23(28)16-31-22-13-6-5-12-21(22)25/h5-8,11-14,17,19H,3-4,9-10,15-16H2,1-2H3,(H,26,29)
InChIKeyGUFLQQYPIOTYHB-UHFFFAOYSA-N
XLogP4.20
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.96
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-[(3-methoxyphenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]propanamide
CID 132610225
(2S)-2-[[2-(2-chlorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 100546776
(2R)-2-[[2-(2-chlorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 100546785
(2S)-N-cyclohexyl-2-[[2-(2,4-dichlorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide
CID 100507047
(2S)-2-[(3-bromophenyl)methyl-[2-(2-chlorophenoxy)acetyl]amino]-N-cyclohexylpropanamide
CID 100563702
(2S)-2-[[2-(3-chlorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100511425
2-[[2-(4-chlorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132613940
2-[3-(2-chlorophenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]-N-cyclopentylpropanamide
CID 132612056
(2S)-2-[3-(2-chlorophenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100511028
N-cyclopentyl-2-[(3-methoxyphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide
CID 132613159
2-[[2-(2-chlorophenoxy)acetyl]-[(4-chlorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132614489
(2S)-2-[[2-(2-chlorophenoxy)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100505210

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-cyclopentylpropanamide?
The IUPAC name of 2-[[2-(2-chlorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-cyclopentylpropanamide (CID 132612233) is 2-[[2-(2-chlorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-cyclopentylpropanamide.
What is the SMILES notation for 2-[[2-(2-chlorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-cyclopentylpropanamide?
The canonical SMILES for 2-[[2-(2-chlorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-cyclopentylpropanamide is COc1cccc(CN(C(=O)COc2ccccc2Cl)C(C)C(=O)NC2CCCC2)c1.
What is the InChIKey of 2-[[2-(2-chlorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-cyclopentylpropanamide?
The InChIKey is GUFLQQYPIOTYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O4/c1-17(24(29)26-19-9-3-4-10-19)27(15-18-8-7-11-20(14-18)30-2)23(28)16-31-22-13-6-5-12-21(22)25/h5-8,11-14,17,19H,3-4,9-10,15-16H2,1-2H3,(H,26,29).
What are the key properties of 2-[[2-(2-chlorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-cyclopentylpropanamide?
2-[[2-(2-chlorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-cyclopentylpropanamide has a molecular weight of 444.96 g/mol, XLogP of 4.20, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-cyclopentylpropanamide is sourced from PubChem (CID 132612233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).