N-[4-(2-morpholin-4-ylanilino)phenyl]oxane-4-carboxamide

C22H27N3O3 — CID 112988851

IUPACN-[4-(2-morpholin-4-ylanilino)phenyl]oxane-4-carboxamide
SMILESO=C(Nc1ccc(Nc2ccccc2N2CCOCC2)cc1)C1CCOCC1
InChIInChI=1S/C22H27N3O3/c26-22(17-9-13-27-14-10-17)24-19-7-5-18(6-8-19)23-20-3-1-2-4-21(20)25-11-15-28-16-12-25/h1-8,17,23H,9-16H2,(H,24,26)
InChIKeyRTXWGHRNSNJKFD-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.63
Rot. Bonds5

About N-[4-(2-morpholin-4-ylanilino)phenyl]oxane-4-carboxamide

N-[4-(2-morpholin-4-ylanilino)phenyl]oxane-4-carboxamide (PubChem CID 112988851) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[4-(2-morpholin-4-ylanilino)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-morpholin-4-ylanilino)phenyl]oxane-4-carboxamide
PubChem CID112988851
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[4-(2-morpholin-4-ylanilino)phenyl]oxane-4-carboxamide
SMILESO=C(Nc1ccc(Nc2ccccc2N2CCOCC2)cc1)C1CCOCC1
InChIInChI=1S/C22H27N3O3/c26-22(17-9-13-27-14-10-17)24-19-7-5-18(6-8-19)23-20-3-1-2-4-21(20)25-11-15-28-16-12-25/h1-8,17,23H,9-16H2,(H,24,26)
InChIKeyRTXWGHRNSNJKFD-UHFFFAOYSA-N
XLogP3.63
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-morpholin-4-ylanilino)phenyl]cyclohexanecarboxamide
CID 112988829
N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 43708109
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
CID 30795120
4-N-(2-morpholin-4-ylphenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide
CID 109144996
N-(2-morpholin-4-ylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110344153
N-(5-fluoro-2-morpholin-4-ylphenyl)oxane-4-carboxamide
CID 113092739
N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78982441
cis-(1R,2S)-3-methylidene-1-N,2-N-bis(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 1120987
N-[4-(2,6-dimethylanilino)phenyl]oxane-4-carboxamide
CID 112986425
1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2-morpholin-4-ylphenyl)urea
CID 108992532
N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]oxane-4-carboxamide
CID 122288097

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-morpholin-4-ylanilino)phenyl]oxane-4-carboxamide?
The IUPAC name of N-[4-(2-morpholin-4-ylanilino)phenyl]oxane-4-carboxamide (CID 112988851) is N-[4-(2-morpholin-4-ylanilino)phenyl]oxane-4-carboxamide.
What is the SMILES notation for N-[4-(2-morpholin-4-ylanilino)phenyl]oxane-4-carboxamide?
The canonical SMILES for N-[4-(2-morpholin-4-ylanilino)phenyl]oxane-4-carboxamide is O=C(Nc1ccc(Nc2ccccc2N2CCOCC2)cc1)C1CCOCC1.
What is the InChIKey of N-[4-(2-morpholin-4-ylanilino)phenyl]oxane-4-carboxamide?
The InChIKey is RTXWGHRNSNJKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c26-22(17-9-13-27-14-10-17)24-19-7-5-18(6-8-19)23-20-3-1-2-4-21(20)25-11-15-28-16-12-25/h1-8,17,23H,9-16H2,(H,24,26).
What are the key properties of N-[4-(2-morpholin-4-ylanilino)phenyl]oxane-4-carboxamide?
N-[4-(2-morpholin-4-ylanilino)phenyl]oxane-4-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-morpholin-4-ylanilino)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 112988851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).