(2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide

C20H30N4O4 — CID 51983955

IUPAC(2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)Nc2ccc(NC(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)C[C@H](C)O1
InChIInChI=1S/C20H30N4O4/c1-13-9-23(10-14(2)27-13)19(25)21-17-5-7-18(8-6-17)22-20(26)24-11-15(3)28-16(4)12-24/h5-8,13-16H,9-12H2,1-4H3,(H,21,25)(H,22,26)/t13-,14+,15-,16+
InChIKeyCPEBZGBZVCLRLN-GEEKYZPCSA-N
MW390.48 g/mol
LogP2.97
Rot. Bonds2

About (2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide

(2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide (PubChem CID 51983955) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is (2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide
PubChem CID51983955
Molecular FormulaC20H30N4O4
Molecular Weight390.48 g/mol
Exact Mass390.23
IUPAC Name(2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)Nc2ccc(NC(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)C[C@H](C)O1
InChIInChI=1S/C20H30N4O4/c1-13-9-23(10-14(2)27-13)19(25)21-17-5-7-18(8-6-17)22-20(26)24-11-15(3)28-16(4)12-24/h5-8,13-16H,9-12H2,1-4H3,(H,21,25)(H,22,26)/t13-,14+,15-,16+
InChIKeyCPEBZGBZVCLRLN-GEEKYZPCSA-N
XLogP2.97
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,6R)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 42545481
(2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 41097584
N-(3,4-dimethylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 4570981
(2R,6R)-2,6-dimethyl-N-(4-propan-2-yloxyphenyl)morpholine-4-carboxamide
CID 94187636
(2S,6S)-N-(3,4-dichlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 726111
(2S,6S)-2,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]morpholine-4-carboxamide
CID 51427241
ethyl 4-[[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]benzoate
CID 971488
(2R,6R)-2,6-dimethyl-N-[4-(2-methylsulfanylethyl)phenyl]morpholine-4-carboxamide
CID 95315876
N-(3,5-dihydroxyphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 108895345
(2R,6R)-N-(4-bromo-3-methylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 51944457
5-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-hydroxybenzoic acid
CID 104959655
(2R,6R)-N-(3-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 41097571

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide?
The IUPAC name of (2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide (CID 51983955) is (2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for (2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide?
The canonical SMILES for (2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide is C[C@@H]1CN(C(=O)Nc2ccc(NC(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)C[C@H](C)O1.
What is the InChIKey of (2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide?
The InChIKey is CPEBZGBZVCLRLN-GEEKYZPCSA-N. The full InChI is InChI=1S/C20H30N4O4/c1-13-9-23(10-14(2)27-13)19(25)21-17-5-7-18(8-6-17)22-20(26)24-11-15(3)28-16(4)12-24/h5-8,13-16H,9-12H2,1-4H3,(H,21,25)(H,22,26)/t13-,14+,15-,16+.
What are the key properties of (2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide?
(2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 51983955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).