N-[(2R)-butan-2-yl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide

C22H35N3O2 — CID 51887306

IUPACN-[(2R)-butan-2-yl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide
SMILESCC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)CN1CCC[C@H](C)C1
InChIInChI=1S/C22H35N3O2/c1-6-18(4)25(22(27)15-24-12-8-9-16(2)13-24)14-21(26)23-20-11-7-10-17(3)19(20)5/h7,10-11,16,18H,6,8-9,12-15H2,1-5H3,(H,23,26)/t16-,18+/m0/s1
InChIKeyBMFOXBJYAQQZII-FUHWJXTLSA-N
MW373.54 g/mol
LogP3.60
Rot. Bonds7

About N-[(2R)-butan-2-yl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide

N-[(2R)-butan-2-yl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide (PubChem CID 51887306) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide
PubChem CID51887306
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC NameN-[(2R)-butan-2-yl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide
SMILESCC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)CN1CCC[C@H](C)C1
InChIInChI=1S/C22H35N3O2/c1-6-18(4)25(22(27)15-24-12-8-9-16(2)13-24)14-21(26)23-20-11-7-10-17(3)19(20)5/h7,10-11,16,18H,6,8-9,12-15H2,1-5H3,(H,23,26)/t16-,18+/m0/s1
InChIKeyBMFOXBJYAQQZII-FUHWJXTLSA-N
XLogP3.60
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 42927926
N-(2,3-dimethylphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62546867
2-[[(2S)-butan-2-yl]-(2-phenylsulfanylacetyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 7821075
(3S)-N-[(2R)-butan-2-yl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]oxolane-3-carboxamide
CID 97250350
N-(2,3-dimethylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898054
N-(2,3-dimethylphenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963336
N-(2,3-dimethylphenyl)-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]acetamide
CID 8929916
[2-[[(2S)-butan-2-yl]-[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
CID 51565065
N-(2,3-dimethylphenyl)-2-(3-fluoropyrrolidin-1-yl)acetamide
CID 171327633
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]azanium
CID 8552428
N-(2,3-dimethylphenyl)-2-[5-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide
CID 3737072
N-butan-2-yl-3-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]benzamide
CID 112807272

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide?
The IUPAC name of N-[(2R)-butan-2-yl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide (CID 51887306) is N-[(2R)-butan-2-yl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide is CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)CN1CCC[C@H](C)C1.
What is the InChIKey of N-[(2R)-butan-2-yl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide?
The InChIKey is BMFOXBJYAQQZII-FUHWJXTLSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-6-18(4)25(22(27)15-24-12-8-9-16(2)13-24)14-21(26)23-20-11-7-10-17(3)19(20)5/h7,10-11,16,18H,6,8-9,12-15H2,1-5H3,(H,23,26)/t16-,18+/m0/s1.
What are the key properties of N-[(2R)-butan-2-yl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide?
N-[(2R)-butan-2-yl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide has a molecular weight of 373.54 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide is sourced from PubChem (CID 51887306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).