2-(2-acetamidophenoxy)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide

C16H21N3O3 — CID 7867252

IUPAC2-(2-acetamidophenoxy)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
SMILESCC(=O)Nc1ccccc1OCC(=O)N[C@](C)(C#N)C(C)C
InChIInChI=1S/C16H21N3O3/c1-11(2)16(4,10-17)19-15(21)9-22-14-8-6-5-7-13(14)18-12(3)20/h5-8,11H,9H2,1-4H3,(H,18,20)(H,19,21)/t16-/m1/s1
InChIKeySDNLJVRLPMZYEO-MRXNPFEDSA-N
MW303.36 g/mol
LogP2.08
Rot. Bonds6

About 2-(2-acetamidophenoxy)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide

2-(2-acetamidophenoxy)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide (PubChem CID 7867252) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-(2-acetamidophenoxy)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-acetamidophenoxy)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
PubChem CID7867252
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-(2-acetamidophenoxy)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
SMILESCC(=O)Nc1ccccc1OCC(=O)N[C@](C)(C#N)C(C)C
InChIInChI=1S/C16H21N3O3/c1-11(2)16(4,10-17)19-15(21)9-22-14-8-6-5-7-13(14)18-12(3)20/h5-8,11H,9H2,1-4H3,(H,18,20)(H,19,21)/t16-/m1/s1
InChIKeySDNLJVRLPMZYEO-MRXNPFEDSA-N
XLogP2.08
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-acetamidophenoxy)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(2-cyanophenoxy)acetamide
CID 2651244
N-(2-cyano-3-methylbutan-2-yl)-2-phenoxyacetamide
CID 78547582
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 8913145
N-benzyl-2-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]benzamide
CID 7981594
2-(1-bromonaphthalen-2-yl)oxy-N-(2-cyano-3-methylbutan-2-yl)acetamide
CID 112774909
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(1-formylnaphthalen-2-yl)oxyacetamide
CID 7763278
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2-phenylphenoxy)acetate
CID 8919601
2-[4-(aminomethyl)phenoxy]-N-(2-cyano-3-methylbutan-2-yl)acetamide
CID 106484798
N-(2-cyano-3-methylbutan-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 84857380
N-(2-cyano-3-methylbutan-2-yl)-2-[4-(methylamino)phenoxy]acetamide
CID 61026918
2-(3-bromophenoxy)-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide
CID 7818301
2-(2-acetamidophenoxy)-N-[(2S)-5-methylhexan-2-yl]acetamide
CID 9018049

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamidophenoxy)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide?
The IUPAC name of 2-(2-acetamidophenoxy)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide (CID 7867252) is 2-(2-acetamidophenoxy)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(2-acetamidophenoxy)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide?
The canonical SMILES for 2-(2-acetamidophenoxy)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide is CC(=O)Nc1ccccc1OCC(=O)N[C@](C)(C#N)C(C)C.
What is the InChIKey of 2-(2-acetamidophenoxy)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide?
The InChIKey is SDNLJVRLPMZYEO-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-11(2)16(4,10-17)19-15(21)9-22-14-8-6-5-7-13(14)18-12(3)20/h5-8,11H,9H2,1-4H3,(H,18,20)(H,19,21)/t16-/m1/s1.
What are the key properties of 2-(2-acetamidophenoxy)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide?
2-(2-acetamidophenoxy)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide has a molecular weight of 303.36 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamidophenoxy)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide is sourced from PubChem (CID 7867252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).