N-cyclohexyl-3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide

C25H33N3O3 — CID 54831126

IUPACN-cyclohexyl-3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
SMILESCC(C)COc1ccccc1NC(=O)CNc1cccc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C25H33N3O3/c1-18(2)17-31-23-14-7-6-13-22(23)28-24(29)16-26-21-12-8-9-19(15-21)25(30)27-20-10-4-3-5-11-20/h6-9,12-15,18,20,26H,3-5,10-11,16-17H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyREQCXCDLKQYIJS-UHFFFAOYSA-N
MW423.56 g/mol
LogP4.83
Rot. Bonds9

About N-cyclohexyl-3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide

N-cyclohexyl-3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide (PubChem CID 54831126) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-cyclohexyl-3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
PubChem CID54831126
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC NameN-cyclohexyl-3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
SMILESCC(C)COc1ccccc1NC(=O)CNc1cccc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C25H33N3O3/c1-18(2)17-31-23-14-7-6-13-22(23)28-24(29)16-26-21-12-8-9-19(15-21)25(30)27-20-10-4-3-5-11-20/h6-9,12-15,18,20,26H,3-5,10-11,16-17H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyREQCXCDLKQYIJS-UHFFFAOYSA-N
XLogP4.83
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54833609
N-cyclohexyl-3-[[2-oxo-2-(2-phenylmethoxyanilino)ethyl]amino]benzamide
CID 54830968
N-butan-2-yl-3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54835273
3-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54830996
3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831343
2-(3,4-dimethylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 54811574
3-[[2-[3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54842054
3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831035
3-[[2-(3-benzamidoanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54839098
2-methyl-N-[3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54831517
N-[2-(2-methylpropoxy)phenyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide
CID 54836401
N-cyclohexyl-3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54831160

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N-cyclohexyl-3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide (CID 54831126) is N-cyclohexyl-3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-cyclohexyl-3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-cyclohexyl-3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide is CC(C)COc1ccccc1NC(=O)CNc1cccc(C(=O)NC2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide?
The InChIKey is REQCXCDLKQYIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-18(2)17-31-23-14-7-6-13-22(23)28-24(29)16-26-21-12-8-9-19(15-21)25(30)27-20-10-4-3-5-11-20/h6-9,12-15,18,20,26H,3-5,10-11,16-17H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of N-cyclohexyl-3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide?
N-cyclohexyl-3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide has a molecular weight of 423.56 g/mol, XLogP of 4.83, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54831126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).