N-cyclohexyl-4-[[2-[3-(2-methylprop-2-enoxy)anilino]acetyl]amino]benzamide

C25H31N3O3 — CID 54825740

IUPACN-cyclohexyl-4-[[2-[3-(2-methylprop-2-enoxy)anilino]acetyl]amino]benzamide
SMILESC=C(C)COc1cccc(NCC(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)c1
InChIInChI=1S/C25H31N3O3/c1-18(2)17-31-23-10-6-9-22(15-23)26-16-24(29)27-21-13-11-19(12-14-21)25(30)28-20-7-4-3-5-8-20/h6,9-15,20,26H,1,3-5,7-8,16-17H2,2H3,(H,27,29)(H,28,30)
InChIKeyDCOXSRQFYBOMJZ-UHFFFAOYSA-N
MW421.54 g/mol
LogP4.75
Rot. Bonds9

About N-cyclohexyl-4-[[2-[3-(2-methylprop-2-enoxy)anilino]acetyl]amino]benzamide

N-cyclohexyl-4-[[2-[3-(2-methylprop-2-enoxy)anilino]acetyl]amino]benzamide (PubChem CID 54825740) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-cyclohexyl-4-[[2-[3-(2-methylprop-2-enoxy)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[[2-[3-(2-methylprop-2-enoxy)anilino]acetyl]amino]benzamide
PubChem CID54825740
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC NameN-cyclohexyl-4-[[2-[3-(2-methylprop-2-enoxy)anilino]acetyl]amino]benzamide
SMILESC=C(C)COc1cccc(NCC(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)c1
InChIInChI=1S/C25H31N3O3/c1-18(2)17-31-23-10-6-9-22(15-23)26-16-24(29)27-21-13-11-19(12-14-21)25(30)28-20-7-4-3-5-8-20/h6,9-15,20,26H,1,3-5,7-8,16-17H2,2H3,(H,27,29)(H,28,30)
InChIKeyDCOXSRQFYBOMJZ-UHFFFAOYSA-N
XLogP4.75
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-cyclohexyl-4-[[2-[3-(2-methylprop-2-enoxy)anilino]acetyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-4-[[2-[3-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
CID 54825662
N-cyclohexyl-4-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810258
4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54844186
N-cyclohexyl-3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54831160
2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54824411
N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828653
2-(3-ethoxyanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54826557
N-(3-methoxyphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825899
N-(4-butoxyphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825836
N-methyl-4-[[2-[3-(2-methylprop-2-enoxy)anilino]acetyl]amino]-N-phenylbenzamide
CID 54825738
4-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54816004
N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843310

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[[2-[3-(2-methylprop-2-enoxy)anilino]acetyl]amino]benzamide?
The IUPAC name of N-cyclohexyl-4-[[2-[3-(2-methylprop-2-enoxy)anilino]acetyl]amino]benzamide (CID 54825740) is N-cyclohexyl-4-[[2-[3-(2-methylprop-2-enoxy)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-cyclohexyl-4-[[2-[3-(2-methylprop-2-enoxy)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-cyclohexyl-4-[[2-[3-(2-methylprop-2-enoxy)anilino]acetyl]amino]benzamide is C=C(C)COc1cccc(NCC(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)c1.
What is the InChIKey of N-cyclohexyl-4-[[2-[3-(2-methylprop-2-enoxy)anilino]acetyl]amino]benzamide?
The InChIKey is DCOXSRQFYBOMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-18(2)17-31-23-10-6-9-22(15-23)26-16-24(29)27-21-13-11-19(12-14-21)25(30)28-20-7-4-3-5-8-20/h6,9-15,20,26H,1,3-5,7-8,16-17H2,2H3,(H,27,29)(H,28,30).
What are the key properties of N-cyclohexyl-4-[[2-[3-(2-methylprop-2-enoxy)anilino]acetyl]amino]benzamide?
N-cyclohexyl-4-[[2-[3-(2-methylprop-2-enoxy)anilino]acetyl]amino]benzamide has a molecular weight of 421.54 g/mol, XLogP of 4.75, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[[2-[3-(2-methylprop-2-enoxy)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54825740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).