4-[[(2-cyclohexylmorpholine-4-carbonyl)amino]methyl]benzoic acid

C19H26N2O4 — CID 122020818

IUPAC4-[[(2-cyclohexylmorpholine-4-carbonyl)amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)N2CCOC(C3CCCCC3)C2)cc1
InChIInChI=1S/C19H26N2O4/c22-18(23)16-8-6-14(7-9-16)12-20-19(24)21-10-11-25-17(13-21)15-4-2-1-3-5-15/h6-9,15,17H,1-5,10-13H2,(H,20,24)(H,22,23)
InChIKeyUUOFHYZUKPKMGD-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.88
Rot. Bonds4

About 4-[[(2-cyclohexylmorpholine-4-carbonyl)amino]methyl]benzoic acid

4-[[(2-cyclohexylmorpholine-4-carbonyl)amino]methyl]benzoic acid (PubChem CID 122020818) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-[[(2-cyclohexylmorpholine-4-carbonyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[(2-cyclohexylmorpholine-4-carbonyl)amino]methyl]benzoic acid
PubChem CID122020818
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name4-[[(2-cyclohexylmorpholine-4-carbonyl)amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)N2CCOC(C3CCCCC3)C2)cc1
InChIInChI=1S/C19H26N2O4/c22-18(23)16-8-6-14(7-9-16)12-20-19(24)21-10-11-25-17(13-21)15-4-2-1-3-5-15/h6-9,15,17H,1-5,10-13H2,(H,20,24)(H,22,23)
InChIKeyUUOFHYZUKPKMGD-UHFFFAOYSA-N
XLogP2.88
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[(2-cyclohexylmorpholine-4-carbonyl)amino]methyl]benzoic 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

4-[[[(3S)-3-hydroxypiperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020589
4-[[(3-pyrrolidin-1-ylazepane-1-carbonyl)amino]methyl]benzoic acid
CID 122019519
4-[[(3-methylsulfonylazepane-1-carbonyl)amino]methyl]benzoic acid
CID 122020615
4-[[(2-cyclobutylpyrrolidine-1-carbonyl)amino]methyl]benzoic acid
CID 122019573
4-[[(3-aminopiperidine-1-carbonyl)amino]methyl]benzoic acid
CID 61403953
4-[[[2-(pyrazol-1-ylmethyl)morpholine-4-carbonyl]amino]methyl]benzoic acid
CID 122021186
4-[[[2-(3-cyanophenyl)morpholine-4-carbonyl]amino]methyl]benzoic acid
CID 122020926
4-[(1,5-dioxa-9-azaspiro[5.5]undecane-9-carbonylamino)methyl]benzoic acid
CID 122020091
4-[[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]methyl]benzoic acid
CID 63550040
4-[[(2,2-dimethylmorpholine-4-carbonyl)amino]methyl]benzoic acid
CID 61202032
4-[[(4-cyclopropylsulfonyl-1,4-diazepane-1-carbonyl)amino]methyl]benzoic acid
CID 122020475
2-cyclobutyl-N-[(1-methylsulfinylcyclopropyl)methyl]morpholine-4-carboxamide
CID 128731265

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-cyclohexylmorpholine-4-carbonyl)amino]methyl]benzoic acid?
The IUPAC name of 4-[[(2-cyclohexylmorpholine-4-carbonyl)amino]methyl]benzoic acid (CID 122020818) is 4-[[(2-cyclohexylmorpholine-4-carbonyl)amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[(2-cyclohexylmorpholine-4-carbonyl)amino]methyl]benzoic acid?
The canonical SMILES for 4-[[(2-cyclohexylmorpholine-4-carbonyl)amino]methyl]benzoic acid is O=C(O)c1ccc(CNC(=O)N2CCOC(C3CCCCC3)C2)cc1.
What is the InChIKey of 4-[[(2-cyclohexylmorpholine-4-carbonyl)amino]methyl]benzoic acid?
The InChIKey is UUOFHYZUKPKMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c22-18(23)16-8-6-14(7-9-16)12-20-19(24)21-10-11-25-17(13-21)15-4-2-1-3-5-15/h6-9,15,17H,1-5,10-13H2,(H,20,24)(H,22,23).
What are the key properties of 4-[[(2-cyclohexylmorpholine-4-carbonyl)amino]methyl]benzoic acid?
4-[[(2-cyclohexylmorpholine-4-carbonyl)amino]methyl]benzoic acid has a molecular weight of 346.43 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-cyclohexylmorpholine-4-carbonyl)amino]methyl]benzoic acid is sourced from PubChem (CID 122020818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).