2-[benzyl-[2-(3,4-dimethylphenoxy)acetyl]amino]-N-cyclohexylpropanamide

C26H34N2O3 — CID 132947942

IUPAC2-[benzyl-[2-(3,4-dimethylphenoxy)acetyl]amino]-N-cyclohexylpropanamide
SMILESCc1ccc(OCC(=O)N(Cc2ccccc2)C(C)C(=O)NC2CCCCC2)cc1C
InChIInChI=1S/C26H34N2O3/c1-19-14-15-24(16-20(19)2)31-18-25(29)28(17-22-10-6-4-7-11-22)21(3)26(30)27-23-12-8-5-9-13-23/h4,6-7,10-11,14-16,21,23H,5,8-9,12-13,17-18H2,1-3H3,(H,27,30)
InChIKeyGCIYFFXFIKEBGR-UHFFFAOYSA-N
MW422.57 g/mol
LogP4.55
Rot. Bonds8

About 2-[benzyl-[2-(3,4-dimethylphenoxy)acetyl]amino]-N-cyclohexylpropanamide

2-[benzyl-[2-(3,4-dimethylphenoxy)acetyl]amino]-N-cyclohexylpropanamide (PubChem CID 132947942) has the molecular formula C26H34N2O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is 2-[benzyl-[2-(3,4-dimethylphenoxy)acetyl]amino]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name2-[benzyl-[2-(3,4-dimethylphenoxy)acetyl]amino]-N-cyclohexylpropanamide
PubChem CID132947942
Molecular FormulaC26H34N2O3
Molecular Weight422.57 g/mol
Exact Mass422.26
IUPAC Name2-[benzyl-[2-(3,4-dimethylphenoxy)acetyl]amino]-N-cyclohexylpropanamide
SMILESCc1ccc(OCC(=O)N(Cc2ccccc2)C(C)C(=O)NC2CCCCC2)cc1C
InChIInChI=1S/C26H34N2O3/c1-19-14-15-24(16-20(19)2)31-18-25(29)28(17-22-10-6-4-7-11-22)21(3)26(30)27-23-12-8-5-9-13-23/h4,6-7,10-11,14-16,21,23H,5,8-9,12-13,17-18H2,1-3H3,(H,27,30)
InChIKeyGCIYFFXFIKEBGR-UHFFFAOYSA-N
XLogP4.55
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 ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(3-chlorophenyl)methyl-[2-(3,4-dimethylphenoxy)acetyl]amino]-N-cyclohexylpropanamide
CID 100551943
2-[(4-bromophenyl)methyl-[2-(3,4-dimethylphenoxy)acetyl]amino]-N-cyclohexylpropanamide
CID 133175473
N-cyclopentyl-2-[[2-(3,4-dimethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132611548
2-[benzyl-[2-(4-methylphenoxy)acetyl]amino]-N-cyclohexylpropanamide
CID 132985498
2-[(3-chlorophenyl)methyl-[2-(3,4-dimethylphenoxy)acetyl]amino]-N-cyclopentylpropanamide
CID 133198430
(2R)-N-cyclohexyl-2-[[2-(3,4-dimethylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-3-phenylpropanamide
CID 100619058
(2S)-2-[[2-(4-chloro-3-methylphenoxy)acetyl]-[(3-chlorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100552425
(2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]propanamide
CID 100511836
(2R)-N-cyclopentyl-2-[[2-(3,4-dimethylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-3-phenylpropanamide
CID 100516694
(2S)-2-[(4-bromophenyl)methyl-[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-cyclohexylpropanamide
CID 100569711
2-[benzyl-[2-(4-bromo-3-methylphenoxy)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 133175724
(2S)-2-[[2-(4-bromo-3-methylphenoxy)acetyl]-(2-phenylethyl)amino]-N-cyclohexylpropanamide
CID 100520276

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(3,4-dimethylphenoxy)acetyl]amino]-N-cyclohexylpropanamide?
The IUPAC name of 2-[benzyl-[2-(3,4-dimethylphenoxy)acetyl]amino]-N-cyclohexylpropanamide (CID 132947942) is 2-[benzyl-[2-(3,4-dimethylphenoxy)acetyl]amino]-N-cyclohexylpropanamide.
What is the SMILES notation for 2-[benzyl-[2-(3,4-dimethylphenoxy)acetyl]amino]-N-cyclohexylpropanamide?
The canonical SMILES for 2-[benzyl-[2-(3,4-dimethylphenoxy)acetyl]amino]-N-cyclohexylpropanamide is Cc1ccc(OCC(=O)N(Cc2ccccc2)C(C)C(=O)NC2CCCCC2)cc1C.
What is the InChIKey of 2-[benzyl-[2-(3,4-dimethylphenoxy)acetyl]amino]-N-cyclohexylpropanamide?
The InChIKey is GCIYFFXFIKEBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O3/c1-19-14-15-24(16-20(19)2)31-18-25(29)28(17-22-10-6-4-7-11-22)21(3)26(30)27-23-12-8-5-9-13-23/h4,6-7,10-11,14-16,21,23H,5,8-9,12-13,17-18H2,1-3H3,(H,27,30).
What are the key properties of 2-[benzyl-[2-(3,4-dimethylphenoxy)acetyl]amino]-N-cyclohexylpropanamide?
2-[benzyl-[2-(3,4-dimethylphenoxy)acetyl]amino]-N-cyclohexylpropanamide has a molecular weight of 422.57 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-(3,4-dimethylphenoxy)acetyl]amino]-N-cyclohexylpropanamide is sourced from PubChem (CID 132947942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).