N-cyclopentyl-2-[[2-(3,5-dimethylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]propanamide

C26H34N2O3 — CID 132948015

IUPACN-cyclopentyl-2-[[2-(3,5-dimethylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]propanamide
SMILESCc1ccc(CN(C(=O)COc2cc(C)cc(C)c2)C(C)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C26H34N2O3/c1-18-9-11-22(12-10-18)16-28(21(4)26(30)27-23-7-5-6-8-23)25(29)17-31-24-14-19(2)13-20(3)15-24/h9-15,21,23H,5-8,16-17H2,1-4H3,(H,27,30)
InChIKeySIBOFWYAUDOUHG-UHFFFAOYSA-N
MW422.57 g/mol
LogP4.47
Rot. Bonds8

About N-cyclopentyl-2-[[2-(3,5-dimethylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]propanamide

N-cyclopentyl-2-[[2-(3,5-dimethylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]propanamide (PubChem CID 132948015) has the molecular formula C26H34N2O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-cyclopentyl-2-[[2-(3,5-dimethylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[2-(3,5-dimethylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]propanamide
PubChem CID132948015
Molecular FormulaC26H34N2O3
Molecular Weight422.57 g/mol
Exact Mass422.26
IUPAC NameN-cyclopentyl-2-[[2-(3,5-dimethylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]propanamide
SMILESCc1ccc(CN(C(=O)COc2cc(C)cc(C)c2)C(C)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C26H34N2O3/c1-18-9-11-22(12-10-18)16-28(21(4)26(30)27-23-7-5-6-8-23)25(29)17-31-24-14-19(2)13-20(3)15-24/h9-15,21,23H,5-8,16-17H2,1-4H3,(H,27,30)
InChIKeySIBOFWYAUDOUHG-UHFFFAOYSA-N
XLogP4.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-[[2-(3,5-dimethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132611550
(2S)-2-[(4-bromophenyl)methyl-[2-(3,5-dimethylphenoxy)acetyl]amino]-N-cyclohexylpropanamide
CID 100569134
N-cyclopentyl-2-[[2-(4-ethylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 132948025
2-[benzyl-[2-(4-methylphenoxy)acetyl]amino]-N-cyclohexylpropanamide
CID 132985498
N-cyclopentyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132615458
N-cyclopentyl-2-[[2-(3,4-dimethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132611548
2-[(3-bromophenyl)methyl-[2-(4-methylphenoxy)acetyl]amino]-N-cyclopentylpropanamide
CID 133198917
(2S)-2-[(3-bromophenyl)methyl-[2-(4-methylphenoxy)acetyl]amino]-N-cyclohexylpropanamide
CID 100565119
N-cyclohexyl-2-[[2-(3,5-dimethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]butanamide
CID 132614969
2-[(4-bromophenyl)methyl-[2-(3,4-dimethylphenoxy)acetyl]amino]-N-cyclohexylpropanamide
CID 133175473
(2R)-2-[benzyl-[2-(3,5-dimethylphenoxy)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100574328
(2S)-N-cyclohexyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 100516623

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[2-(3,5-dimethylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]propanamide?
The IUPAC name of N-cyclopentyl-2-[[2-(3,5-dimethylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]propanamide (CID 132948015) is N-cyclopentyl-2-[[2-(3,5-dimethylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[[2-(3,5-dimethylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]propanamide?
The canonical SMILES for N-cyclopentyl-2-[[2-(3,5-dimethylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]propanamide is Cc1ccc(CN(C(=O)COc2cc(C)cc(C)c2)C(C)C(=O)NC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-2-[[2-(3,5-dimethylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]propanamide?
The InChIKey is SIBOFWYAUDOUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O3/c1-18-9-11-22(12-10-18)16-28(21(4)26(30)27-23-7-5-6-8-23)25(29)17-31-24-14-19(2)13-20(3)15-24/h9-15,21,23H,5-8,16-17H2,1-4H3,(H,27,30).
What are the key properties of N-cyclopentyl-2-[[2-(3,5-dimethylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]propanamide?
N-cyclopentyl-2-[[2-(3,5-dimethylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]propanamide has a molecular weight of 422.57 g/mol, XLogP of 4.47, 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-(3,5-dimethylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]propanamide is sourced from PubChem (CID 132948015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).