N-(2-cyano-6-methoxyphenyl)-2-morpholin-3-ylacetamide

C14H17N3O3 — CID 107467862

IUPACN-(2-cyano-6-methoxyphenyl)-2-morpholin-3-ylacetamide
SMILESCOc1cccc(C#N)c1NC(=O)CC1COCCN1
InChIInChI=1S/C14H17N3O3/c1-19-12-4-2-3-10(8-15)14(12)17-13(18)7-11-9-20-6-5-16-11/h2-4,11,16H,5-7,9H2,1H3,(H,17,18)
InChIKeyBYESNTFTWAVKAC-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.88
Rot. Bonds4

About N-(2-cyano-6-methoxyphenyl)-2-morpholin-3-ylacetamide

N-(2-cyano-6-methoxyphenyl)-2-morpholin-3-ylacetamide (PubChem CID 107467862) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(2-cyano-6-methoxyphenyl)-2-morpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(2-cyano-6-methoxyphenyl)-2-morpholin-3-ylacetamide
PubChem CID107467862
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-(2-cyano-6-methoxyphenyl)-2-morpholin-3-ylacetamide
SMILESCOc1cccc(C#N)c1NC(=O)CC1COCCN1
InChIInChI=1S/C14H17N3O3/c1-19-12-4-2-3-10(8-15)14(12)17-13(18)7-11-9-20-6-5-16-11/h2-4,11,16H,5-7,9H2,1H3,(H,17,18)
InChIKeyBYESNTFTWAVKAC-UHFFFAOYSA-N
XLogP0.88
TPSA83.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyano-6-methoxyphenyl)oxane-3-carboxamide
CID 107468166
N-(2-cyano-6-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 107467761
3-methoxy-2-(1-pyrrolidin-2-ylpropan-2-ylamino)benzonitrile
CID 107466869
N-(2-hydroxy-4-methoxyphenyl)-2-morpholin-3-ylacetamide
CID 102695154
3-(2-morpholin-3-ylacetyl)benzonitrile
CID 81467194
N-(2-cyano-6-methoxyphenyl)-2,2,2-trifluoroacetamide
CID 107468131
2-(2-aminoethoxy)-N-(2-cyano-6-methoxyphenyl)acetamide
CID 107467856
N-(2-cyano-6-methoxyphenyl)-2-phenylsulfanylacetamide
CID 107467897
N-(2-cyano-6-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 107467908
N-(2-cyano-6-methoxyphenyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 107467988
2-(3-chlorophenyl)-N-(2-cyano-6-methoxyphenyl)acetamide
CID 107468148
2-methoxy-N-[[(3S)-morpholin-3-yl]methyl]aniline
CID 99962582

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-6-methoxyphenyl)-2-morpholin-3-ylacetamide?
The IUPAC name of N-(2-cyano-6-methoxyphenyl)-2-morpholin-3-ylacetamide (CID 107467862) is N-(2-cyano-6-methoxyphenyl)-2-morpholin-3-ylacetamide.
What is the SMILES notation for N-(2-cyano-6-methoxyphenyl)-2-morpholin-3-ylacetamide?
The canonical SMILES for N-(2-cyano-6-methoxyphenyl)-2-morpholin-3-ylacetamide is COc1cccc(C#N)c1NC(=O)CC1COCCN1.
What is the InChIKey of N-(2-cyano-6-methoxyphenyl)-2-morpholin-3-ylacetamide?
The InChIKey is BYESNTFTWAVKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-19-12-4-2-3-10(8-15)14(12)17-13(18)7-11-9-20-6-5-16-11/h2-4,11,16H,5-7,9H2,1H3,(H,17,18).
What are the key properties of N-(2-cyano-6-methoxyphenyl)-2-morpholin-3-ylacetamide?
N-(2-cyano-6-methoxyphenyl)-2-morpholin-3-ylacetamide has a molecular weight of 275.31 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-6-methoxyphenyl)-2-morpholin-3-ylacetamide is sourced from PubChem (CID 107467862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).