(2S,6S)-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-2,6-dimethylmorpholine-4-carboxamide

C20H28FN3O3 — CID 52501690

IUPAC(2S,6S)-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-2,6-dimethylmorpholine-4-carboxamide
SMILESC[C@H]1CN(C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)C[C@H](C)O1
InChIInChI=1S/C20H28FN3O3/c1-13-11-24(12-14(2)27-13)20(26)22-16-8-9-17(21)18(10-16)23-19(25)15-6-4-3-5-7-15/h8-10,13-15H,3-7,11-12H2,1-2H3,(H,22,26)(H,23,25)/t13-,14-/m0/s1
InChIKeyMAEHFUYLAHEPMT-KBPBESRZSA-N
MW377.46 g/mol
LogP3.99
Rot. Bonds3

About (2S,6S)-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-2,6-dimethylmorpholine-4-carboxamide

(2S,6S)-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-2,6-dimethylmorpholine-4-carboxamide (PubChem CID 52501690) has the molecular formula C20H28FN3O3 and a molecular weight of 377.46 g/mol. Its IUPAC name is (2S,6S)-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-2,6-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S,6S)-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-2,6-dimethylmorpholine-4-carboxamide
PubChem CID52501690
Molecular FormulaC20H28FN3O3
Molecular Weight377.46 g/mol
Exact Mass377.21
IUPAC Name(2S,6S)-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-2,6-dimethylmorpholine-4-carboxamide
SMILESC[C@H]1CN(C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)C[C@H](C)O1
InChIInChI=1S/C20H28FN3O3/c1-13-11-24(12-14(2)27-13)20(26)22-16-8-9-17(21)18(10-16)23-19(25)15-6-4-3-5-7-15/h8-10,13-15H,3-7,11-12H2,1-2H3,(H,22,26)(H,23,25)/t13-,14-/m0/s1
InChIKeyMAEHFUYLAHEPMT-KBPBESRZSA-N
XLogP3.99
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-acetamido-2-fluorophenyl)cyclobutanecarboxamide
CID 46429163
N-[2-fluoro-5-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]cyclohexanecarboxamide
CID 100629802
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]piperidine-4-carboxamide;hydrochloride
CID 119282876
(2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 51983955
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 47040970
N-[5-(2-aminopentanoylamino)-2-fluorophenyl]cyclohexanecarboxamide
CID 119282895
N-[5-(3-aminopropanoylamino)-2-fluorophenyl]cyclohexanecarboxamide;hydrochloride
CID 119282872
N-[5-[(2,2-dichlorocyclopropanecarbonyl)amino]-2-fluorophenyl]cyclohexanecarboxamide
CID 78888966
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-fluoro-4-methylbenzamide
CID 55722774
cis-(1R,3S)-3-[[3-(cyclohexanecarbonylamino)-4-fluorophenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065318
(2S)-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1,4-dioxane-2-carboxamide
CID 94130346
N-(3,4-dimethylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 4570981

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-2,6-dimethylmorpholine-4-carboxamide?
The IUPAC name of (2S,6S)-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-2,6-dimethylmorpholine-4-carboxamide (CID 52501690) is (2S,6S)-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-2,6-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for (2S,6S)-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-2,6-dimethylmorpholine-4-carboxamide?
The canonical SMILES for (2S,6S)-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-2,6-dimethylmorpholine-4-carboxamide is C[C@H]1CN(C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)C[C@H](C)O1.
What is the InChIKey of (2S,6S)-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-2,6-dimethylmorpholine-4-carboxamide?
The InChIKey is MAEHFUYLAHEPMT-KBPBESRZSA-N. The full InChI is InChI=1S/C20H28FN3O3/c1-13-11-24(12-14(2)27-13)20(26)22-16-8-9-17(21)18(10-16)23-19(25)15-6-4-3-5-7-15/h8-10,13-15H,3-7,11-12H2,1-2H3,(H,22,26)(H,23,25)/t13-,14-/m0/s1.
What are the key properties of (2S,6S)-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-2,6-dimethylmorpholine-4-carboxamide?
(2S,6S)-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-2,6-dimethylmorpholine-4-carboxamide has a molecular weight of 377.46 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-2,6-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 52501690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).