N-[4-(2-cyanophenoxy)phenyl]-2,6-dimethylmorpholine-4-carboxamide

C20H21N3O3 — CID 60577589

IUPACN-[4-(2-cyanophenoxy)phenyl]-2,6-dimethylmorpholine-4-carboxamide
SMILESCC1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC(C)O1
InChIInChI=1S/C20H21N3O3/c1-14-12-23(13-15(2)25-14)20(24)22-17-7-9-18(10-8-17)26-19-6-4-3-5-16(19)11-21/h3-10,14-15H,12-13H2,1-2H3,(H,22,24)
InChIKeySXSHNOPGWKIQNR-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.99
Rot. Bonds3

About N-[4-(2-cyanophenoxy)phenyl]-2,6-dimethylmorpholine-4-carboxamide

N-[4-(2-cyanophenoxy)phenyl]-2,6-dimethylmorpholine-4-carboxamide (PubChem CID 60577589) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[4-(2-cyanophenoxy)phenyl]-2,6-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-cyanophenoxy)phenyl]-2,6-dimethylmorpholine-4-carboxamide
PubChem CID60577589
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[4-(2-cyanophenoxy)phenyl]-2,6-dimethylmorpholine-4-carboxamide
SMILESCC1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC(C)O1
InChIInChI=1S/C20H21N3O3/c1-14-12-23(13-15(2)25-14)20(24)22-17-7-9-18(10-8-17)26-19-6-4-3-5-16(19)11-21/h3-10,14-15H,12-13H2,1-2H3,(H,22,24)
InChIKeySXSHNOPGWKIQNR-UHFFFAOYSA-N
XLogP3.99
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 51983955
(2S,6S)-2,6-dimethyl-N-(4-quinolin-8-yloxyphenyl)morpholine-4-carboxamide
CID 95305079
(2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 41097584
(2S,6R)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 42545481
(3aS,6aR)-2-[[4-(2-cyanophenoxy)phenyl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122077650
(2R,6R)-2,6-dimethyl-N-(4-propan-2-yloxyphenyl)morpholine-4-carboxamide
CID 94187636
(2S,6S)-2,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]morpholine-4-carboxamide
CID 51427241
(2S,6R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 95286089
1-[4-(2-cyanophenoxy)phenyl]-3-(3-methylbutan-2-yl)urea
CID 60576984
N-[4-(2-cyanophenoxy)phenyl]furan-2-carboxamide
CID 87012577
ethyl 4-[[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]benzoate
CID 971488
2-(cyanomethylsulfanyl)-N-[4-(2-cyanophenoxy)phenyl]acetamide
CID 51092504

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-cyanophenoxy)phenyl]-2,6-dimethylmorpholine-4-carboxamide?
The IUPAC name of N-[4-(2-cyanophenoxy)phenyl]-2,6-dimethylmorpholine-4-carboxamide (CID 60577589) is N-[4-(2-cyanophenoxy)phenyl]-2,6-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-[4-(2-cyanophenoxy)phenyl]-2,6-dimethylmorpholine-4-carboxamide?
The canonical SMILES for N-[4-(2-cyanophenoxy)phenyl]-2,6-dimethylmorpholine-4-carboxamide is CC1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC(C)O1.
What is the InChIKey of N-[4-(2-cyanophenoxy)phenyl]-2,6-dimethylmorpholine-4-carboxamide?
The InChIKey is SXSHNOPGWKIQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14-12-23(13-15(2)25-14)20(24)22-17-7-9-18(10-8-17)26-19-6-4-3-5-16(19)11-21/h3-10,14-15H,12-13H2,1-2H3,(H,22,24).
What are the key properties of N-[4-(2-cyanophenoxy)phenyl]-2,6-dimethylmorpholine-4-carboxamide?
N-[4-(2-cyanophenoxy)phenyl]-2,6-dimethylmorpholine-4-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-cyanophenoxy)phenyl]-2,6-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 60577589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).