2-[[(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide

C22H35N3O2 — CID 41291522

IUPAC2-[[(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCC[C@@H]1CCCCN1C(=O)[C@@H](C)N(C)CC(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C22H35N3O2/c1-7-19-10-8-9-11-25(19)22(27)18(5)24(6)14-20(26)23-21-16(3)12-15(2)13-17(21)4/h12-13,18-19H,7-11,14H2,1-6H3,(H,23,26)/t18-,19-/m1/s1
InChIKeyCSIPSIRASRKUSE-RTBURBONSA-N
MW373.54 g/mol
LogP3.66
Rot. Bonds6

About 2-[[(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide

2-[[(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 41291522) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is 2-[[(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID41291522
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC Name2-[[(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCC[C@@H]1CCCCN1C(=O)[C@@H](C)N(C)CC(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C22H35N3O2/c1-7-19-10-8-9-11-25(19)22(27)18(5)24(6)14-20(26)23-21-16(3)12-15(2)13-17(21)4/h12-13,18-19H,7-11,14H2,1-6H3,(H,23,26)/t18-,19-/m1/s1
InChIKeyCSIPSIRASRKUSE-RTBURBONSA-N
XLogP3.66
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-2-[[(2S)-1-[(2S)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]acetamide
CID 41022365
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 42911688
(2R)-N-(cyclohexylcarbamoyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide
CID 9338305
N-(2-chloro-4,6-dimethylphenyl)-2-ethylpiperidine-1-carboxamide
CID 108990890
(2R)-N-ethyl-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide
CID 8622377
2-(3,5-dimethylanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 78786224
2-[cyclohexyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 4818302
(2R)-2-[[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid
CID 124834654
ethyl 1-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]propanoyl]piperidine-3-carboxylate
CID 55525439
1-(2-ethylpiperidin-1-yl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]propan-1-one
CID 55865666
2-[cyclobutylmethyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 171998632
2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 42912128

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[[(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide (CID 41291522) is 2-[[(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[[(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[[(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide is CC[C@@H]1CCCCN1C(=O)[C@@H](C)N(C)CC(=O)Nc1c(C)cc(C)cc1C.
What is the InChIKey of 2-[[(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is CSIPSIRASRKUSE-RTBURBONSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-7-19-10-8-9-11-25(19)22(27)18(5)24(6)14-20(26)23-21-16(3)12-15(2)13-17(21)4/h12-13,18-19H,7-11,14H2,1-6H3,(H,23,26)/t18-,19-/m1/s1.
What are the key properties of 2-[[(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[[(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 373.54 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 41291522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).