N-(2,6-dimethylphenyl)-2-[[(2S)-1-[(2S)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]acetamide

C21H33N3O2 — CID 41022365

IUPACN-(2,6-dimethylphenyl)-2-[[(2S)-1-[(2S)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]acetamide
SMILESCC[C@H]1CCCCN1C(=O)[C@H](C)N(C)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C21H33N3O2/c1-6-18-12-7-8-13-24(18)21(26)17(4)23(5)14-19(25)22-20-15(2)10-9-11-16(20)3/h9-11,17-18H,6-8,12-14H2,1-5H3,(H,22,25)/t17-,18-/m0/s1
InChIKeyAPHNTILCOMXAME-ROUUACIJSA-N
MW359.51 g/mol
LogP3.35
Rot. Bonds6

About N-(2,6-dimethylphenyl)-2-[[(2S)-1-[(2S)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]acetamide

N-(2,6-dimethylphenyl)-2-[[(2S)-1-[(2S)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]acetamide (PubChem CID 41022365) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[[(2S)-1-[(2S)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[[(2S)-1-[(2S)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]acetamide
PubChem CID41022365
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC NameN-(2,6-dimethylphenyl)-2-[[(2S)-1-[(2S)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]acetamide
SMILESCC[C@H]1CCCCN1C(=O)[C@H](C)N(C)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C21H33N3O2/c1-6-18-12-7-8-13-24(18)21(26)17(4)23(5)14-19(25)22-20-15(2)10-9-11-16(20)3/h9-11,17-18H,6-8,12-14H2,1-5H3,(H,22,25)/t17-,18-/m0/s1
InChIKeyAPHNTILCOMXAME-ROUUACIJSA-N
XLogP3.35
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 41291522
N-(2,6-dimethylphenyl)-2-[[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide
CID 51167321
ethyl 1-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]propanoyl]piperidine-3-carboxylate
CID 55525439
(2S)-N-cyclopropyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]propanamide
CID 8557442
N-(2,6-dimethylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110857550
N-(2,6-dimethylphenyl)-6-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109099638
N-(2,6-dichlorophenyl)-2-[[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]acetamide
CID 9287009
2-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)-2-oxoacetamide
CID 47336165
N-[2,6-di(propan-2-yl)phenyl]-2-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109140356
(2R)-2-ethyl-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
CID 51944426
(2R)-2-[[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid
CID 124834654
N-(2,3-dimethylphenyl)-2-[4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide
CID 8694491

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[[(2S)-1-[(2S)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[[(2S)-1-[(2S)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]acetamide (CID 41022365) is N-(2,6-dimethylphenyl)-2-[[(2S)-1-[(2S)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[[(2S)-1-[(2S)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[[(2S)-1-[(2S)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]acetamide is CC[C@H]1CCCCN1C(=O)[C@H](C)N(C)CC(=O)Nc1c(C)cccc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[[(2S)-1-[(2S)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]acetamide?
The InChIKey is APHNTILCOMXAME-ROUUACIJSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-6-18-12-7-8-13-24(18)21(26)17(4)23(5)14-19(25)22-20-15(2)10-9-11-16(20)3/h9-11,17-18H,6-8,12-14H2,1-5H3,(H,22,25)/t17-,18-/m0/s1.
What are the key properties of N-(2,6-dimethylphenyl)-2-[[(2S)-1-[(2S)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]acetamide?
N-(2,6-dimethylphenyl)-2-[[(2S)-1-[(2S)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]acetamide has a molecular weight of 359.51 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[[(2S)-1-[(2S)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]acetamide is sourced from PubChem (CID 41022365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).