N-[3-[(3-cyanophenyl)methoxy]phenyl]morpholine-4-carboxamide

C19H19N3O3 — CID 47042118

IUPACN-[3-[(3-cyanophenyl)methoxy]phenyl]morpholine-4-carboxamide
SMILESN#Cc1cccc(COc2cccc(NC(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C19H19N3O3/c20-13-15-3-1-4-16(11-15)14-25-18-6-2-5-17(12-18)21-19(23)22-7-9-24-10-8-22/h1-6,11-12H,7-10,14H2,(H,21,23)
InChIKeyXZATUWUOXSJFGX-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.00
Rot. Bonds4

About N-[3-[(3-cyanophenyl)methoxy]phenyl]morpholine-4-carboxamide

N-[3-[(3-cyanophenyl)methoxy]phenyl]morpholine-4-carboxamide (PubChem CID 47042118) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[3-[(3-cyanophenyl)methoxy]phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-cyanophenyl)methoxy]phenyl]morpholine-4-carboxamide
PubChem CID47042118
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[3-[(3-cyanophenyl)methoxy]phenyl]morpholine-4-carboxamide
SMILESN#Cc1cccc(COc2cccc(NC(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C19H19N3O3/c20-13-15-3-1-4-16(11-15)14-25-18-6-2-5-17(12-18)21-19(23)22-7-9-24-10-8-22/h1-6,11-12H,7-10,14H2,(H,21,23)
InChIKeyXZATUWUOXSJFGX-UHFFFAOYSA-N
XLogP3.00
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(morpholine-4-carbonylamino)phenoxy]acetic acid
CID 61187144
N-[3-(methoxymethyl)phenyl]morpholine-4-carboxamide
CID 34684605
N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-hydroxycyclopentane-1-carboxamide
CID 110907346
4-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 55765767
molecular hydrogen;N-(4-phenylmethoxyphenyl)morpholine-4-carboxamide
CID 143052664
3-(1,3-benzodioxol-5-yl)-N-[3-[(3-cyanophenyl)methoxy]phenyl]propanamide
CID 39500255
4-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 55721690
N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
CID 171576986
2-(4-bromophenoxy)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide
CID 39501061
N-[3-[(3-cyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide
CID 39501157
N-[3-[(3-cyanophenyl)methoxy]phenyl]-2,4-dimethylbenzamide
CID 39501116
4-bromo-N-[3-[(3-cyanophenyl)methoxy]phenyl]-2,5-dimethylfuran-3-carboxamide
CID 55689113

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-cyanophenyl)methoxy]phenyl]morpholine-4-carboxamide?
The IUPAC name of N-[3-[(3-cyanophenyl)methoxy]phenyl]morpholine-4-carboxamide (CID 47042118) is N-[3-[(3-cyanophenyl)methoxy]phenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[3-[(3-cyanophenyl)methoxy]phenyl]morpholine-4-carboxamide?
The canonical SMILES for N-[3-[(3-cyanophenyl)methoxy]phenyl]morpholine-4-carboxamide is N#Cc1cccc(COc2cccc(NC(=O)N3CCOCC3)c2)c1.
What is the InChIKey of N-[3-[(3-cyanophenyl)methoxy]phenyl]morpholine-4-carboxamide?
The InChIKey is XZATUWUOXSJFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c20-13-15-3-1-4-16(11-15)14-25-18-6-2-5-17(12-18)21-19(23)22-7-9-24-10-8-22/h1-6,11-12H,7-10,14H2,(H,21,23).
What are the key properties of N-[3-[(3-cyanophenyl)methoxy]phenyl]morpholine-4-carboxamide?
N-[3-[(3-cyanophenyl)methoxy]phenyl]morpholine-4-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-cyanophenyl)methoxy]phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 47042118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).