N-(5-amino-2-methoxyphenyl)-2-(2-cyanomorpholin-4-yl)acetamide

C14H18N4O3 — CID 79663165

IUPACN-(5-amino-2-methoxyphenyl)-2-(2-cyanomorpholin-4-yl)acetamide
SMILESCOc1ccc(N)cc1NC(=O)CN1CCOC(C#N)C1
InChIInChI=1S/C14H18N4O3/c1-20-13-3-2-10(16)6-12(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)
InChIKeyGZXIRFCZSDUDMA-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.44
Rot. Bonds4

About N-(5-amino-2-methoxyphenyl)-2-(2-cyanomorpholin-4-yl)acetamide

N-(5-amino-2-methoxyphenyl)-2-(2-cyanomorpholin-4-yl)acetamide (PubChem CID 79663165) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-(5-amino-2-methoxyphenyl)-2-(2-cyanomorpholin-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-amino-2-methoxyphenyl)-2-(2-cyanomorpholin-4-yl)acetamide
PubChem CID79663165
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC NameN-(5-amino-2-methoxyphenyl)-2-(2-cyanomorpholin-4-yl)acetamide
SMILESCOc1ccc(N)cc1NC(=O)CN1CCOC(C#N)C1
InChIInChI=1S/C14H18N4O3/c1-20-13-3-2-10(16)6-12(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)
InChIKeyGZXIRFCZSDUDMA-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-(4-amino-2-methoxyphenyl)-2-(2-cyanomorpholin-4-yl)acetamide
CID 79663611
N-(5-amino-2-methoxyphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62918714
N-(5-amino-2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 16784173
2-(2-cyanomorpholin-4-yl)-N-(2-cyanophenyl)acetamide
CID 79674698
N-(5-acetamido-2-methoxyphenyl)-2-[(2R)-2-methylmorpholin-4-yl]acetamide
CID 31502105
N-(5-amino-2-fluorophenyl)-2-(2-ethylmorpholin-4-yl)acetamide
CID 43562303
N-(5-amino-2-methoxyphenyl)-2-(2,6-dimethylpiperidin-1-yl)acetamide
CID 16782750
N-(3-aminophenyl)-3-(2-cyanomorpholin-4-yl)propanamide
CID 79665814
N-(4-amino-2-methoxyphenyl)-2-(3-methylpyrrolidin-1-yl)acetamide
CID 61223798
N-(5-amino-2-fluorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 81206082
N-(4-amino-2-methoxyphenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 63166002
1-[2-(5-amino-2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 43212131

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methoxyphenyl)-2-(2-cyanomorpholin-4-yl)acetamide?
The IUPAC name of N-(5-amino-2-methoxyphenyl)-2-(2-cyanomorpholin-4-yl)acetamide (CID 79663165) is N-(5-amino-2-methoxyphenyl)-2-(2-cyanomorpholin-4-yl)acetamide.
What is the SMILES notation for N-(5-amino-2-methoxyphenyl)-2-(2-cyanomorpholin-4-yl)acetamide?
The canonical SMILES for N-(5-amino-2-methoxyphenyl)-2-(2-cyanomorpholin-4-yl)acetamide is COc1ccc(N)cc1NC(=O)CN1CCOC(C#N)C1.
What is the InChIKey of N-(5-amino-2-methoxyphenyl)-2-(2-cyanomorpholin-4-yl)acetamide?
The InChIKey is GZXIRFCZSDUDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-20-13-3-2-10(16)6-12(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-(5-amino-2-methoxyphenyl)-2-(2-cyanomorpholin-4-yl)acetamide?
N-(5-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-(5-amino-2-methoxyphenyl)-2-(2-cyanomorpholin-4-yl)acetamide is sourced from PubChem (CID 79663165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).