1-[[3-acetamido-4-(3,5-difluorophenyl)-2-hydroxybutyl]amino]cyclohexane-1-carboxylic acid

C19H26F2N2O4 — CID 69408618

IUPAC1-[[3-acetamido-4-(3,5-difluorophenyl)-2-hydroxybutyl]amino]cyclohexane-1-carboxylic acid
SMILESCC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNC1(C(=O)O)CCCCC1
InChIInChI=1S/C19H26F2N2O4/c1-12(24)23-16(9-13-7-14(20)10-15(21)8-13)17(25)11-22-19(18(26)27)5-3-2-4-6-19/h7-8,10,16-17,22,25H,2-6,9,11H2,1H3,(H,23,24)(H,26,27)
InChIKeyQQJLYTOKEXWAHA-UHFFFAOYSA-N
MW384.42 g/mol
LogP1.75
Rot. Bonds8

About 1-[[3-acetamido-4-(3,5-difluorophenyl)-2-hydroxybutyl]amino]cyclohexane-1-carboxylic acid

1-[[3-acetamido-4-(3,5-difluorophenyl)-2-hydroxybutyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 69408618) has the molecular formula C19H26F2N2O4 and a molecular weight of 384.42 g/mol. Its IUPAC name is 1-[[3-acetamido-4-(3,5-difluorophenyl)-2-hydroxybutyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[3-acetamido-4-(3,5-difluorophenyl)-2-hydroxybutyl]amino]cyclohexane-1-carboxylic acid
PubChem CID69408618
Molecular FormulaC19H26F2N2O4
Molecular Weight384.42 g/mol
Exact Mass384.19
IUPAC Name1-[[3-acetamido-4-(3,5-difluorophenyl)-2-hydroxybutyl]amino]cyclohexane-1-carboxylic acid
SMILESCC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNC1(C(=O)O)CCCCC1
InChIInChI=1S/C19H26F2N2O4/c1-12(24)23-16(9-13-7-14(20)10-15(21)8-13)17(25)11-22-19(18(26)27)5-3-2-4-6-19/h7-8,10,16-17,22,25H,2-6,9,11H2,1H3,(H,23,24)(H,26,27)
InChIKeyQQJLYTOKEXWAHA-UHFFFAOYSA-N
XLogP1.75
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 51.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-[[3-acetamido-4-(3,5-difluorophenyl)-2-hydroxybutyl]amino]cyclohexane-1-carboxylic acid 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

1-[[3-acetamido-4-(3,5-difluorophenyl)-2-hydroxybutyl]amino]-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 69406105
N-[4-[[1-(4-tert-butylphenyl)cyclohexyl]amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
CID 58591487
4-[[3-acetamido-4-(3,5-difluorophenyl)-2-hydroxybutyl]amino]-N-cyclohexyloxane-4-carboxamide
CID 69403915
N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-yl]acetamide
CID 58591392
N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-(3-iodophenyl)cyclohexyl]amino]butan-2-yl]acetamide
CID 58591323
N-[4-[[1-(3-tert-butyl-5-methylphenyl)cyclohexyl]amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
CID 58591290
N-[(2S,3S)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-(3-propan-2-ylphenyl)cyclohexyl]amino]butan-2-yl]acetamide
CID 68539303
N-[(2S,3S)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-(3-propan-2-ylphenyl)cyclohexyl]amino]butan-2-yl]acetamide;hydrochloride
CID 68539302
N-[4-[[1-(3-tert-butyl-5-chlorophenyl)cyclohexyl]amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
CID 58591413
[3-[1-[[(2R,3S)-3-acetamido-4-(3,5-difluorophenyl)-2-hydroxybutyl]amino]cyclohexyl]phenyl]boronic acid
CID 70332629
N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-(3-pentan-3-ylphenyl)cyclohexyl]amino]butan-2-yl]acetamide
CID 58591333
N-[1-(3,5-difluorophenyl)-4-[[1-[3-[(4-fluorophenyl)methyl]phenyl]cyclohexyl]amino]-3-hydroxybutan-2-yl]acetamide
CID 58591536

Frequently Asked Questions

What is the IUPAC name of 1-[[3-acetamido-4-(3,5-difluorophenyl)-2-hydroxybutyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[3-acetamido-4-(3,5-difluorophenyl)-2-hydroxybutyl]amino]cyclohexane-1-carboxylic acid (CID 69408618) is 1-[[3-acetamido-4-(3,5-difluorophenyl)-2-hydroxybutyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[3-acetamido-4-(3,5-difluorophenyl)-2-hydroxybutyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[3-acetamido-4-(3,5-difluorophenyl)-2-hydroxybutyl]amino]cyclohexane-1-carboxylic acid is CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[3-acetamido-4-(3,5-difluorophenyl)-2-hydroxybutyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is QQJLYTOKEXWAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2N2O4/c1-12(24)23-16(9-13-7-14(20)10-15(21)8-13)17(25)11-22-19(18(26)27)5-3-2-4-6-19/h7-8,10,16-17,22,25H,2-6,9,11H2,1H3,(H,23,24)(H,26,27).
What are the key properties of 1-[[3-acetamido-4-(3,5-difluorophenyl)-2-hydroxybutyl]amino]cyclohexane-1-carboxylic acid?
1-[[3-acetamido-4-(3,5-difluorophenyl)-2-hydroxybutyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 384.42 g/mol, XLogP of 1.75, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-acetamido-4-(3,5-difluorophenyl)-2-hydroxybutyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 69408618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).