N-(2-fluoro-4-methylphenyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide

C23H27FN2O4 — CID 161007289

IUPACN-(2-fluoro-4-methylphenyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide
SMILESCc1ccc(N(Cc2ccc(C(=O)CO)cc2)C(=O)N2CC(C)OC(C)C2)c(F)c1
InChIInChI=1S/C23H27FN2O4/c1-15-4-9-21(20(24)10-15)26(23(29)25-11-16(2)30-17(3)12-25)13-18-5-7-19(8-6-18)22(28)14-27/h4-10,16-17,27H,11-14H2,1-3H3
InChIKeyTWRAFLACRAHQTB-UHFFFAOYSA-N
MW414.48 g/mol
LogP3.54
Rot. Bonds5

About N-(2-fluoro-4-methylphenyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide

N-(2-fluoro-4-methylphenyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide (PubChem CID 161007289) has the molecular formula C23H27FN2O4 and a molecular weight of 414.48 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide
PubChem CID161007289
Molecular FormulaC23H27FN2O4
Molecular Weight414.48 g/mol
Exact Mass414.20
IUPAC NameN-(2-fluoro-4-methylphenyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide
SMILESCc1ccc(N(Cc2ccc(C(=O)CO)cc2)C(=O)N2CC(C)OC(C)C2)c(F)c1
InChIInChI=1S/C23H27FN2O4/c1-15-4-9-21(20(24)10-15)26(23(29)25-11-16(2)30-17(3)12-25)13-18-5-7-19(8-6-18)22(28)14-27/h4-10,16-17,27H,11-14H2,1-3H3
InChIKeyTWRAFLACRAHQTB-UHFFFAOYSA-N
XLogP3.54
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-fluoro-4-methylphenyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide 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-(2-fluoro-4-methylphenyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 86281861
N-[[4-(2-hydroxyacetyl)phenyl]methyl]-2,6-dimethyl-N-pyridin-2-ylmorpholine-4-carboxamide
CID 147810593
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(2,5-dimethylphenyl)ethanone
CID 93026027
2-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)ethanone
CID 4579108
3,3-difluoro-N-[[2-fluoro-4-(2-hydroxyacetyl)phenyl]methyl]-N-(4-methylphenyl)azetidine-1-carboxamide
CID 146848371
[(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] 4-(dimethylamino)-3-fluorobenzoate
CID 97024014
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(4-fluoro-3-sulfanylphenyl)methanone
CID 107036472
N-[(4-bromophenyl)methyl]-N-(2,4-difluorophenyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 71889570
2-(2,5-dimethylphenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102934393
N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]morpholine-4-carboxamide
CID 147811359
(2-bromo-5-methylphenyl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 103932969
4-benzyl-N-(3-chloro-4-fluorophenyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]piperazine-1-carboxamide
CID 149266683

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide (CID 161007289) is N-(2-fluoro-4-methylphenyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide is Cc1ccc(N(Cc2ccc(C(=O)CO)cc2)C(=O)N2CC(C)OC(C)C2)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide?
The InChIKey is TWRAFLACRAHQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O4/c1-15-4-9-21(20(24)10-15)26(23(29)25-11-16(2)30-17(3)12-25)13-18-5-7-19(8-6-18)22(28)14-27/h4-10,16-17,27H,11-14H2,1-3H3.
What are the key properties of N-(2-fluoro-4-methylphenyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide?
N-(2-fluoro-4-methylphenyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide has a molecular weight of 414.48 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 161007289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).