N-(3-cyano-4-ethoxyphenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide

C17H23N3O4 — CID 118769323

IUPACN-(3-cyano-4-ethoxyphenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCOC(CCOC)C2)cc1C#N
InChIInChI=1S/C17H23N3O4/c1-3-23-16-5-4-14(10-13(16)11-18)19-17(21)20-7-9-24-15(12-20)6-8-22-2/h4-5,10,15H,3,6-9,12H2,1-2H3,(H,19,21)
InChIKeyWZCMRBZWWMIJQZ-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.23
Rot. Bonds6

About N-(3-cyano-4-ethoxyphenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide

N-(3-cyano-4-ethoxyphenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide (PubChem CID 118769323) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(3-cyano-4-ethoxyphenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4-ethoxyphenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide
PubChem CID118769323
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC NameN-(3-cyano-4-ethoxyphenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCOC(CCOC)C2)cc1C#N
InChIInChI=1S/C17H23N3O4/c1-3-23-16-5-4-14(10-13(16)11-18)19-17(21)20-7-9-24-15(12-20)6-8-22-2/h4-5,10,15H,3,6-9,12H2,1-2H3,(H,19,21)
InChIKeyWZCMRBZWWMIJQZ-UHFFFAOYSA-N
XLogP2.23
TPSA83.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(3-cyano-4-ethoxyphenyl)-3-(3-methoxypropyl)piperidine-1-carboxamide
CID 97455461
2-(2-methoxyethyl)-N-[4-(4-methylphenyl)phenyl]morpholine-4-carboxamide
CID 118784925
N-(3-cyano-4-ethoxyphenyl)-3-propoxypiperidine-1-carboxamide
CID 118768650
(6R)-N-(3-cyano-4-methoxyphenyl)-6-(hydroxymethyl)-1,4-oxazepane-4-carboxamide
CID 97279682
(2S)-N-[3-(3-chlorophenyl)phenyl]-2-(2-methoxyethyl)morpholine-4-carboxamide
CID 97437523
N-(3-cyano-4-ethoxyphenyl)-4-[(3R,4S)-4-hydroxyoxolan-3-yl]-1,4-diazepane-1-carboxamide
CID 133114043
N-(4-ethoxy-3-methylphenyl)morpholine-4-carboxamide
CID 47410728
(2S)-N-[3-cyano-4-(trifluoromethoxy)phenyl]-2-methyl-1,4-oxazepane-4-carboxamide
CID 124886800
methyl 4-[[(2R)-2-ethylmorpholine-4-carbonyl]amino]benzoate
CID 94878692
methyl 4-[[(2S)-2-ethylmorpholine-4-carbonyl]amino]benzoate
CID 95160013
(2S)-N-(2,3-difluorophenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide
CID 97278282
(2R)-N-(2,3-difluorophenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide
CID 97278281

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-ethoxyphenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide?
The IUPAC name of N-(3-cyano-4-ethoxyphenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide (CID 118769323) is N-(3-cyano-4-ethoxyphenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(3-cyano-4-ethoxyphenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide?
The canonical SMILES for N-(3-cyano-4-ethoxyphenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide is CCOc1ccc(NC(=O)N2CCOC(CCOC)C2)cc1C#N.
What is the InChIKey of N-(3-cyano-4-ethoxyphenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide?
The InChIKey is WZCMRBZWWMIJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-3-23-16-5-4-14(10-13(16)11-18)19-17(21)20-7-9-24-15(12-20)6-8-22-2/h4-5,10,15H,3,6-9,12H2,1-2H3,(H,19,21).
What are the key properties of N-(3-cyano-4-ethoxyphenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide?
N-(3-cyano-4-ethoxyphenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-ethoxyphenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide is sourced from PubChem (CID 118769323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).