2-[[(2S)-butan-2-yl]-[2-(3-cyanophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide

C23H27N3O3 — CID 7964497

IUPAC2-[[(2S)-butan-2-yl]-[2-(3-cyanophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
SMILESCC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)COc1cccc(C#N)c1
InChIInChI=1S/C23H27N3O3/c1-5-17(3)26(14-22(27)25-21-11-6-8-16(2)18(21)4)23(28)15-29-20-10-7-9-19(12-20)13-24/h6-12,17H,5,14-15H2,1-4H3,(H,25,27)/t17-/m0/s1
InChIKeyPSHVUDDSRDCWAU-KRWDZBQOSA-N
MW393.49 g/mol
LogP3.82
Rot. Bonds8

About 2-[[(2S)-butan-2-yl]-[2-(3-cyanophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide

2-[[(2S)-butan-2-yl]-[2-(3-cyanophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 7964497) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-[[(2S)-butan-2-yl]-[2-(3-cyanophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[(2S)-butan-2-yl]-[2-(3-cyanophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
PubChem CID7964497
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name2-[[(2S)-butan-2-yl]-[2-(3-cyanophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
SMILESCC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)COc1cccc(C#N)c1
InChIInChI=1S/C23H27N3O3/c1-5-17(3)26(14-22(27)25-21-11-6-8-16(2)18(21)4)23(28)15-29-20-10-7-9-19(12-20)13-24/h6-12,17H,5,14-15H2,1-4H3,(H,25,27)/t17-/m0/s1
InChIKeyPSHVUDDSRDCWAU-KRWDZBQOSA-N
XLogP3.82
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2S)-butan-2-yl]-[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 7757516
2-[[(2R)-butan-2-yl]-[2-(2-chlorophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 7816125
2-(3-cyanophenoxy)-N-(2-ethoxyphenyl)acetamide
CID 2591399
[2-[butan-2-yl-[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] furan-3-carboxylate
CID 42923580
N-butan-2-yl-3-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]benzamide
CID 112807272
2-[[(2S)-butan-2-yl]-(2-phenylsulfanylacetyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 7821075
N-(3-cyanophenyl)-N'-(2,3-dimethylphenyl)propanediamide
CID 108953919
[2-[[(2S)-butan-2-yl]-[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
CID 51565065
2-[[2-(4-chlorophenoxy)acetyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 8503620
methyl 3-[2-(2,3-dimethylanilino)-2-oxoethoxy]benzoate
CID 35986892
2-[[2-(4-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 26619648
N-[[(2R)-butan-2-yl]carbamoyl]-2-(3-cyanophenoxy)acetamide
CID 7964489

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-butan-2-yl]-[2-(3-cyanophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[[(2S)-butan-2-yl]-[2-(3-cyanophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide (CID 7964497) is 2-[[(2S)-butan-2-yl]-[2-(3-cyanophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[[(2S)-butan-2-yl]-[2-(3-cyanophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[[(2S)-butan-2-yl]-[2-(3-cyanophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide is CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)COc1cccc(C#N)c1.
What is the InChIKey of 2-[[(2S)-butan-2-yl]-[2-(3-cyanophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is PSHVUDDSRDCWAU-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-5-17(3)26(14-22(27)25-21-11-6-8-16(2)18(21)4)23(28)15-29-20-10-7-9-19(12-20)13-24/h6-12,17H,5,14-15H2,1-4H3,(H,25,27)/t17-/m0/s1.
What are the key properties of 2-[[(2S)-butan-2-yl]-[2-(3-cyanophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
2-[[(2S)-butan-2-yl]-[2-(3-cyanophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 393.49 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-butan-2-yl]-[2-(3-cyanophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 7964497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).