2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclohexylpropanamide

C25H31ClN2O3 — CID 132612046

IUPAC2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclohexylpropanamide
SMILESCc1ccccc1CN(C(=O)COc1ccc(Cl)cc1)C(C)C(=O)NC1CCCCC1
InChIInChI=1S/C25H31ClN2O3/c1-18-8-6-7-9-20(18)16-28(19(2)25(30)27-22-10-4-3-5-11-22)24(29)17-31-23-14-12-21(26)13-15-23/h6-9,12-15,19,22H,3-5,10-11,16-17H2,1-2H3,(H,27,30)
InChIKeyNYBGWXVYBWQQOP-UHFFFAOYSA-N
MW442.99 g/mol
LogP4.89
Rot. Bonds8

About 2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclohexylpropanamide

2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclohexylpropanamide (PubChem CID 132612046) has the molecular formula C25H31ClN2O3 and a molecular weight of 442.99 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclohexylpropanamide
PubChem CID132612046
Molecular FormulaC25H31ClN2O3
Molecular Weight442.99 g/mol
Exact Mass442.20
IUPAC Name2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclohexylpropanamide
SMILESCc1ccccc1CN(C(=O)COc1ccc(Cl)cc1)C(C)C(=O)NC1CCCCC1
InChIInChI=1S/C25H31ClN2O3/c1-18-8-6-7-9-20(18)16-28(19(2)25(30)27-22-10-4-3-5-11-22)24(29)17-31-23-14-12-21(26)13-15-23/h6-9,12-15,19,22H,3-5,10-11,16-17H2,1-2H3,(H,27,30)
InChIKeyNYBGWXVYBWQQOP-UHFFFAOYSA-N
XLogP4.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.99
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132612030
(2R)-2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100647925
(2S)-2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylpropanamide
CID 100568123
N-cyclohexyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132615219
N-cyclopentyl-2-[[2-(3-methylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132985756
2-[[2-(4-bromo-3-methylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclopentylpropanamide
CID 132617735
N-cyclohexyl-2-[[2-(2-fluorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132610377
N-tert-butyl-2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132708564
(2R)-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100558101
N-cyclohexyl-2-[(2-fluorophenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]propanamide
CID 133174742
(2S)-N-cyclohexyl-2-[(2-fluorophenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]propanamide
CID 100558210
(2S)-N-cyclohexyl-2-[[2-(4-fluorophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 100559346

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclohexylpropanamide?
The IUPAC name of 2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclohexylpropanamide (CID 132612046) is 2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclohexylpropanamide.
What is the SMILES notation for 2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclohexylpropanamide?
The canonical SMILES for 2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclohexylpropanamide is Cc1ccccc1CN(C(=O)COc1ccc(Cl)cc1)C(C)C(=O)NC1CCCCC1.
What is the InChIKey of 2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclohexylpropanamide?
The InChIKey is NYBGWXVYBWQQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN2O3/c1-18-8-6-7-9-20(18)16-28(19(2)25(30)27-22-10-4-3-5-11-22)24(29)17-31-23-14-12-21(26)13-15-23/h6-9,12-15,19,22H,3-5,10-11,16-17H2,1-2H3,(H,27,30).
What are the key properties of 2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclohexylpropanamide?
2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclohexylpropanamide has a molecular weight of 442.99 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclohexylpropanamide is sourced from PubChem (CID 132612046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).