2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-cyclopropylacetamide

C15H17N3O3 — CID 60665697

IUPAC2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)C(=O)COc1ccccc1C#N
InChIInChI=1S/C15H17N3O3/c1-18(9-14(19)17-12-6-7-12)15(20)10-21-13-5-3-2-4-11(13)8-16/h2-5,12H,6-7,9-10H2,1H3,(H,17,19)
InChIKeyRCMXRLXLCMQOHA-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.67
Rot. Bonds6

About 2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-cyclopropylacetamide

2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-cyclopropylacetamide (PubChem CID 60665697) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-cyclopropylacetamide
PubChem CID60665697
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)C(=O)COc1ccccc1C#N
InChIInChI=1S/C15H17N3O3/c1-18(9-14(19)17-12-6-7-12)15(20)10-21-13-5-3-2-4-11(13)8-16/h2-5,12H,6-7,9-10H2,1H3,(H,17,19)
InChIKeyRCMXRLXLCMQOHA-UHFFFAOYSA-N
XLogP0.67
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2-aminophenoxy)acetyl]-methylamino]-N-cyclopropylacetamide
CID 43572560
2-[[2-(2-cyanophenoxy)acetyl]-methylamino]acetamide
CID 43374251
2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 9437513
2-(2-cyanophenoxy)-N-(thian-4-yl)acetamide
CID 115599761
N-(5-chloro-2-methoxyphenyl)-2-[[2-(2-cyanophenoxy)acetyl]-methylamino]acetamide
CID 9438071
2-(2-cyanophenoxy)-N-hydroxy-N-methylacetamide
CID 20669597
2-(2-cyanophenoxy)-N-(3-ethoxycyclobutyl)acetamide
CID 102610563
[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-ethoxybenzoate
CID 9417725
2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-methylamino]-N-cyclopropylacetamide
CID 18093332
2-(2-cyanophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide
CID 78808882
3-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]thiophene-2-carboxylic acid
CID 63338225
N-cyclopropyl-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]acetamide
CID 27015551

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-cyclopropylacetamide (CID 60665697) is 2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-cyclopropylacetamide is CN(CC(=O)NC1CC1)C(=O)COc1ccccc1C#N.
What is the InChIKey of 2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-cyclopropylacetamide?
The InChIKey is RCMXRLXLCMQOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-18(9-14(19)17-12-6-7-12)15(20)10-21-13-5-3-2-4-11(13)8-16/h2-5,12H,6-7,9-10H2,1H3,(H,17,19).
What are the key properties of 2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-cyclopropylacetamide?
2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-cyclopropylacetamide has a molecular weight of 287.32 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 60665697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).