2-[[(2R)-butan-2-yl]-[2-(2-chlorophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide

C22H27ClN2O3 — CID 7816125

IUPAC2-[[(2R)-butan-2-yl]-[2-(2-chlorophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
SMILESCC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)COc1ccccc1Cl
InChIInChI=1S/C22H27ClN2O3/c1-5-16(3)25(22(27)14-28-20-12-7-6-10-18(20)23)13-21(26)24-19-11-8-9-15(2)17(19)4/h6-12,16H,5,13-14H2,1-4H3,(H,24,26)/t16-/m1/s1
InChIKeyOZAFVNQRJOPGRR-MRXNPFEDSA-N
MW402.92 g/mol
LogP4.60
Rot. Bonds8

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

2-[[(2R)-butan-2-yl]-[2-(2-chlorophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 7816125) has the molecular formula C22H27ClN2O3 and a molecular weight of 402.92 g/mol. Its IUPAC name is 2-[[(2R)-butan-2-yl]-[2-(2-chlorophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[(2R)-butan-2-yl]-[2-(2-chlorophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
PubChem CID7816125
Molecular FormulaC22H27ClN2O3
Molecular Weight402.92 g/mol
Exact Mass402.17
IUPAC Name2-[[(2R)-butan-2-yl]-[2-(2-chlorophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
SMILESCC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)COc1ccccc1Cl
InChIInChI=1S/C22H27ClN2O3/c1-5-16(3)25(22(27)14-28-20-12-7-6-10-18(20)23)13-21(26)24-19-11-8-9-15(2)17(19)4/h6-12,16H,5,13-14H2,1-4H3,(H,24,26)/t16-/m1/s1
InChIKeyOZAFVNQRJOPGRR-MRXNPFEDSA-N
XLogP4.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.92
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butan-2-yl-[2-(2-chlorophenoxy)acetyl]amino]acetic acid
CID 60829928
2-[[(2S)-butan-2-yl]-[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 7757516
2-[[(2S)-butan-2-yl]-[2-(3-cyanophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 7964497
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
[2-[butan-2-yl-[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] furan-3-carboxylate
CID 42923580
2-[[2-(2-chlorophenoxy)acetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 2676301
2-[[(1R)-1-(2-chlorophenyl)ethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 9287667
N-[(2R)-butan-2-yl]-2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]acetamide
CID 30759801
2-[[2-(2-chlorophenoxy)acetyl]-methylamino]-N-naphthalen-1-ylacetamide
CID 4822554
ethyl 2-[[2-(2-chlorophenoxy)acetyl]-propan-2-ylamino]acetate
CID 61022317
(3S)-N-[(2R)-butan-2-yl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]oxolane-3-carboxamide
CID 97250350

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-butan-2-yl]-[2-(2-chlorophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[[(2R)-butan-2-yl]-[2-(2-chlorophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide (CID 7816125) is 2-[[(2R)-butan-2-yl]-[2-(2-chlorophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[[(2R)-butan-2-yl]-[2-(2-chlorophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[[(2R)-butan-2-yl]-[2-(2-chlorophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide is CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)COc1ccccc1Cl.
What is the InChIKey of 2-[[(2R)-butan-2-yl]-[2-(2-chlorophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is OZAFVNQRJOPGRR-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H27ClN2O3/c1-5-16(3)25(22(27)14-28-20-12-7-6-10-18(20)23)13-21(26)24-19-11-8-9-15(2)17(19)4/h6-12,16H,5,13-14H2,1-4H3,(H,24,26)/t16-/m1/s1.
What are the key properties of 2-[[(2R)-butan-2-yl]-[2-(2-chlorophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
2-[[(2R)-butan-2-yl]-[2-(2-chlorophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 402.92 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-butan-2-yl]-[2-(2-chlorophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 7816125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).