2-[[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]-N-propylacetamide

C20H30FN3O2 — CID 8684133

IUPAC2-[[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNC(=O)CN(Cc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C20H30FN3O2/c1-2-12-22-19(25)13-23-20(26)15-24(18-6-4-3-5-7-18)14-16-8-10-17(21)11-9-16/h8-11,18H,2-7,12-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyJLXSCDNIFIDNRD-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.60
Rot. Bonds9

About 2-[[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]-N-propylacetamide

2-[[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]-N-propylacetamide (PubChem CID 8684133) has the molecular formula C20H30FN3O2 and a molecular weight of 363.48 g/mol. Its IUPAC name is 2-[[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]-N-propylacetamide
PubChem CID8684133
Molecular FormulaC20H30FN3O2
Molecular Weight363.48 g/mol
Exact Mass363.23
IUPAC Name2-[[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNC(=O)CN(Cc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C20H30FN3O2/c1-2-12-22-19(25)13-23-20(26)15-24(18-6-4-3-5-7-18)14-16-8-10-17(21)11-9-16/h8-11,18H,2-7,12-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyJLXSCDNIFIDNRD-UHFFFAOYSA-N
XLogP2.60
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]-N-propylacetamide 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

methyl 2-[cyclopentyl-[(4-fluorophenyl)methyl]amino]acetate
CID 79006293
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 27119187
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methylphenyl)methyl]acetamide
CID 8906703
2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-N-(2,4-dimethoxyphenyl)acetamide
CID 9300301
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 8872677
N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 113056716
N-butyl-2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]acetamide
CID 78900262
N-carbamoyl-3-[cyclohexyl-[(4-fluorophenyl)methyl]amino]propanamide
CID 18291247
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide
CID 119688726
N-[2-(butylamino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 112990632
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-pentylacetamide
CID 21380505
2-[4-[[cyclopentyl(ethyl)amino]methyl]phenyl]acetohydrazide
CID 105351719

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]-N-propylacetamide?
The IUPAC name of 2-[[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]-N-propylacetamide (CID 8684133) is 2-[[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]-N-propylacetamide?
The canonical SMILES for 2-[[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]-N-propylacetamide is CCCNC(=O)CNC(=O)CN(Cc1ccc(F)cc1)C1CCCCC1.
What is the InChIKey of 2-[[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]-N-propylacetamide?
The InChIKey is JLXSCDNIFIDNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN3O2/c1-2-12-22-19(25)13-23-20(26)15-24(18-6-4-3-5-7-18)14-16-8-10-17(21)11-9-16/h8-11,18H,2-7,12-15H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 2-[[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]-N-propylacetamide?
2-[[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]-N-propylacetamide has a molecular weight of 363.48 g/mol, XLogP of 2.60, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]-N-propylacetamide is sourced from PubChem (CID 8684133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).