N-[(1S,2S)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide

C21H33N3O2 — CID 11939314

IUPACN-[(1S,2S)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)CC(=O)N[C@H]2CCCC[C@@H]2C)c(C)c1
InChIInChI=1S/C21H33N3O2/c1-14-10-16(3)21(17(4)11-14)23-20(26)13-24(5)12-19(25)22-18-9-7-6-8-15(18)2/h10-11,15,18H,6-9,12-13H2,1-5H3,(H,22,25)(H,23,26)/t15-,18-/m0/s1
InChIKeyIONGNZYCLXGJPP-YJBOKZPZSA-N
MW359.51 g/mol
LogP3.18
Rot. Bonds6

About N-[(1S,2S)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide

N-[(1S,2S)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide (PubChem CID 11939314) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is N-[(1S,2S)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
PubChem CID11939314
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC NameN-[(1S,2S)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)CC(=O)N[C@H]2CCCC[C@@H]2C)c(C)c1
InChIInChI=1S/C21H33N3O2/c1-14-10-16(3)21(17(4)11-14)23-20(26)13-24(5)12-19(25)22-18-9-7-6-8-15(18)2/h10-11,15,18H,6-9,12-13H2,1-5H3,(H,22,25)(H,23,26)/t15-,18-/m0/s1
InChIKeyIONGNZYCLXGJPP-YJBOKZPZSA-N
XLogP3.18
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1S,2S)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide with MolForge

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Related Compounds

2-[[(1R,2R)-2-methylcyclohexyl]carbamothioylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 11930832
N-[(1S,2R)-2-methylcyclohexyl]-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]acetamide
CID 100900329
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9167461
2-[[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 11930399
2-[cyclobutylmethyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 171998632
2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 9198274
2-[cycloheptyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 16577746
2-[cyclohexyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 4818302
methyl 2-[methyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetate
CID 60660214
N-[(1S,2R)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]acetamide
CID 9197964
2-[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8622732
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 9222495

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide?
The IUPAC name of N-[(1S,2S)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide (CID 11939314) is N-[(1S,2S)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide.
What is the SMILES notation for N-[(1S,2S)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide?
The canonical SMILES for N-[(1S,2S)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide is Cc1cc(C)c(NC(=O)CN(C)CC(=O)N[C@H]2CCCC[C@@H]2C)c(C)c1.
What is the InChIKey of N-[(1S,2S)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide?
The InChIKey is IONGNZYCLXGJPP-YJBOKZPZSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-14-10-16(3)21(17(4)11-14)23-20(26)13-24(5)12-19(25)22-18-9-7-6-8-15(18)2/h10-11,15,18H,6-9,12-13H2,1-5H3,(H,22,25)(H,23,26)/t15-,18-/m0/s1.
What are the key properties of N-[(1S,2S)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide?
N-[(1S,2S)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide has a molecular weight of 359.51 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide is sourced from PubChem (CID 11939314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).