N-(4-amino-2-methoxyphenyl)-2-(2-cyanomorpholin-4-yl)acetamide

C14H18N4O3 — CID 79663611

IUPACN-(4-amino-2-methoxyphenyl)-2-(2-cyanomorpholin-4-yl)acetamide
SMILESCOc1cc(N)ccc1NC(=O)CN1CCOC(C#N)C1
InChIInChI=1S/C14H18N4O3/c1-20-13-6-10(16)2-3-12(13)17-14(19)9-18-4-5-21-11(7-15)8-18/h2-3,6,11H,4-5,8-9,16H2,1H3,(H,17,19)
InChIKeyOFOCQHZHEFHJAA-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.44
Rot. Bonds4

About N-(4-amino-2-methoxyphenyl)-2-(2-cyanomorpholin-4-yl)acetamide

N-(4-amino-2-methoxyphenyl)-2-(2-cyanomorpholin-4-yl)acetamide (PubChem CID 79663611) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-2-(2-cyanomorpholin-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-2-(2-cyanomorpholin-4-yl)acetamide
PubChem CID79663611
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC NameN-(4-amino-2-methoxyphenyl)-2-(2-cyanomorpholin-4-yl)acetamide
SMILESCOc1cc(N)ccc1NC(=O)CN1CCOC(C#N)C1
InChIInChI=1S/C14H18N4O3/c1-20-13-6-10(16)2-3-12(13)17-14(19)9-18-4-5-21-11(7-15)8-18/h2-3,6,11H,4-5,8-9,16H2,1H3,(H,17,19)
InChIKeyOFOCQHZHEFHJAA-UHFFFAOYSA-N
XLogP0.44
TPSA100.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-methoxyphenyl)-2-(2-cyanomorpholin-4-yl)acetamide
CID 79663165
N-(4-amino-2-methoxyphenyl)-2-(3-methylpyrrolidin-1-yl)acetamide
CID 61223798
N-(4-amino-2-methoxyphenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 63166002
2-(2-cyanomorpholin-4-yl)-N-(2-cyanophenyl)acetamide
CID 79674698
N-(4-amino-2-methoxyphenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 81098626
N-(4-amino-2-methoxyphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 43246094
N-(3-aminophenyl)-3-(2-cyanomorpholin-4-yl)propanamide
CID 79665814
N-(5-amino-2-methoxyphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62918714
N-(5-amino-2-fluorophenyl)-2-(2-ethylmorpholin-4-yl)acetamide
CID 43562303
N-(5-amino-2-fluorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 81206082
N-(4-amino-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 16779280
2-(4-aminopiperidin-1-yl)-N-(4-cyano-2-methoxyphenyl)acetamide
CID 104848882

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-2-(2-cyanomorpholin-4-yl)acetamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-2-(2-cyanomorpholin-4-yl)acetamide (CID 79663611) is N-(4-amino-2-methoxyphenyl)-2-(2-cyanomorpholin-4-yl)acetamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-2-(2-cyanomorpholin-4-yl)acetamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-2-(2-cyanomorpholin-4-yl)acetamide is COc1cc(N)ccc1NC(=O)CN1CCOC(C#N)C1.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-2-(2-cyanomorpholin-4-yl)acetamide?
The InChIKey is OFOCQHZHEFHJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-20-13-6-10(16)2-3-12(13)17-14(19)9-18-4-5-21-11(7-15)8-18/h2-3,6,11H,4-5,8-9,16H2,1H3,(H,17,19).
What are the key properties of N-(4-amino-2-methoxyphenyl)-2-(2-cyanomorpholin-4-yl)acetamide?
N-(4-amino-2-methoxyphenyl)-2-(2-cyanomorpholin-4-yl)acetamide has a molecular weight of 290.32 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methoxyphenyl)-2-(2-cyanomorpholin-4-yl)acetamide is sourced from PubChem (CID 79663611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).