2-[acetyl(benzyl)amino]-N-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetamide

C26H34N2O5 — CID 3216570

IUPAC2-[acetyl(benzyl)amino]-N-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(C(C(=O)NC2CCCCC2)N(Cc2ccccc2)C(C)=O)cc(OC)c1OC
InChIInChI=1S/C26H34N2O5/c1-18(29)28(17-19-11-7-5-8-12-19)24(26(30)27-21-13-9-6-10-14-21)20-15-22(31-2)25(33-4)23(16-20)32-3/h5,7-8,11-12,15-16,21,24H,6,9-10,13-14,17H2,1-4H3,(H,27,30)
InChIKeyODISRJHURAFWSI-UHFFFAOYSA-N
MW454.57 g/mol
LogP4.25
Rot. Bonds9

About 2-[acetyl(benzyl)amino]-N-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetamide

2-[acetyl(benzyl)amino]-N-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 3216570) has the molecular formula C26H34N2O5 and a molecular weight of 454.57 g/mol. Its IUPAC name is 2-[acetyl(benzyl)amino]-N-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(benzyl)amino]-N-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID3216570
Molecular FormulaC26H34N2O5
Molecular Weight454.57 g/mol
Exact Mass454.25
IUPAC Name2-[acetyl(benzyl)amino]-N-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(C(C(=O)NC2CCCCC2)N(Cc2ccccc2)C(C)=O)cc(OC)c1OC
InChIInChI=1S/C26H34N2O5/c1-18(29)28(17-19-11-7-5-8-12-19)24(26(30)27-21-13-9-6-10-14-21)20-15-22(31-2)25(33-4)23(16-20)32-3/h5,7-8,11-12,15-16,21,24H,6,9-10,13-14,17H2,1-4H3,(H,27,30)
InChIKeyODISRJHURAFWSI-UHFFFAOYSA-N
XLogP4.25
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(benzotriazol-1-yl)-N-benzyl-N-[(1S)-2-(cyclohexylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]propanamide
CID 98099038
2-(benzotriazol-1-yl)-N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]propanamide
CID 3191871
(2S)-2-(benzotriazol-1-yl)-N-benzyl-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]propanamide
CID 98099040
(2R)-2-(benzotriazol-1-yl)-N-benzyl-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]propanamide
CID 98099041
[3-[1-[acetyl(benzyl)amino]-2-(cyclohexylamino)-2-oxoethyl]phenyl]boronic acid
CID 102127298
[3-[[acetyl-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]amino]methyl]phenyl]boronic acid
CID 102220640
N-(1,3-benzodioxol-5-ylmethyl)-N-[(1S)-2-(cyclohexylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]furan-2-carboxamide
CID 98097985
N-[2-(cyclohexylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-[(3-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 3184635
2-[benzyl-(2-chloroacetyl)amino]-N-cycloheptyl-2-(4-methoxyphenyl)acetamide
CID 86810113
2-[benzyl(methyl)amino]-N-cyclopentyl-2-(4-methoxyphenyl)acetamide
CID 122174537
2-(benzotriazol-1-yl)-N-[2-(cyclohexylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-[(4-fluorophenyl)methyl]propanamide
CID 3191883
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 93473341

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(benzyl)amino]-N-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-[acetyl(benzyl)amino]-N-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetamide (CID 3216570) is 2-[acetyl(benzyl)amino]-N-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[acetyl(benzyl)amino]-N-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-[acetyl(benzyl)amino]-N-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(C(C(=O)NC2CCCCC2)N(Cc2ccccc2)C(C)=O)cc(OC)c1OC.
What is the InChIKey of 2-[acetyl(benzyl)amino]-N-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is ODISRJHURAFWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O5/c1-18(29)28(17-19-11-7-5-8-12-19)24(26(30)27-21-13-9-6-10-14-21)20-15-22(31-2)25(33-4)23(16-20)32-3/h5,7-8,11-12,15-16,21,24H,6,9-10,13-14,17H2,1-4H3,(H,27,30).
What are the key properties of 2-[acetyl(benzyl)amino]-N-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetamide?
2-[acetyl(benzyl)amino]-N-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 454.57 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(benzyl)amino]-N-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 3216570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).