2-[[(2S)-butan-2-yl]-[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide

C24H29N3O4 — CID 7757516

IUPAC2-[[(2S)-butan-2-yl]-[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
SMILESCC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)COc1ccc(C#N)cc1OC
InChIInChI=1S/C24H29N3O4/c1-6-17(3)27(14-23(28)26-20-9-7-8-16(2)18(20)4)24(29)15-31-21-11-10-19(13-25)12-22(21)30-5/h7-12,17H,6,14-15H2,1-5H3,(H,26,28)/t17-/m0/s1
InChIKeyKNAJWZFQAHZRQT-KRWDZBQOSA-N
MW423.51 g/mol
LogP3.83
Rot. Bonds9

About 2-[[(2S)-butan-2-yl]-[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide

2-[[(2S)-butan-2-yl]-[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 7757516) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is 2-[[(2S)-butan-2-yl]-[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[(2S)-butan-2-yl]-[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
PubChem CID7757516
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name2-[[(2S)-butan-2-yl]-[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
SMILESCC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)COc1ccc(C#N)cc1OC
InChIInChI=1S/C24H29N3O4/c1-6-17(3)27(14-23(28)26-20-9-7-8-16(2)18(20)4)24(29)15-31-21-11-10-19(13-25)12-22(21)30-5/h7-12,17H,6,14-15H2,1-5H3,(H,26,28)/t17-/m0/s1
InChIKeyKNAJWZFQAHZRQT-KRWDZBQOSA-N
XLogP3.83
TPSA91.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[(2S)-butan-2-yl]-[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide with MolForge

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Related Compounds

2-[[(2S)-butan-2-yl]-[2-(3-cyanophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 7964497
2-[[(2R)-butan-2-yl]-[2-(2-chlorophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 7816125
2-(4-cyano-2-methoxyphenoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 7757492
2-(4-cyano-2-methoxyphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 7757339
2-(4-cyano-2-methoxyphenoxy)-N-(4-methoxy-2,5-dimethylphenyl)acetamide
CID 2976145
2-(4-cyano-2-methoxyphenoxy)-N-(2-fluorophenyl)acetamide
CID 2492568
N-(2,3-dimethylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 18151887
[2-[butan-2-yl-[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] furan-3-carboxylate
CID 42923580
2-(4-cyano-2-methoxyphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 7757485
2-(4-cyano-2-ethoxyphenoxy)-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]acetamide
CID 46465537
[2-(2,3-dimethylanilino)-2-oxoethyl] 3,4-dimethoxybenzoate
CID 724451
2-[[(2S)-butan-2-yl]-(2-phenylsulfanylacetyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 7821075

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-butan-2-yl]-[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[[(2S)-butan-2-yl]-[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide (CID 7757516) is 2-[[(2S)-butan-2-yl]-[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[[(2S)-butan-2-yl]-[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[[(2S)-butan-2-yl]-[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide is CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)COc1ccc(C#N)cc1OC.
What is the InChIKey of 2-[[(2S)-butan-2-yl]-[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is KNAJWZFQAHZRQT-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-6-17(3)27(14-23(28)26-20-9-7-8-16(2)18(20)4)24(29)15-31-21-11-10-19(13-25)12-22(21)30-5/h7-12,17H,6,14-15H2,1-5H3,(H,26,28)/t17-/m0/s1.
What are the key properties of 2-[[(2S)-butan-2-yl]-[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
2-[[(2S)-butan-2-yl]-[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 423.51 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-butan-2-yl]-[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 7757516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).