2-[[2-[[(2R)-heptan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide

C21H35N3O2 — CID 8635329

IUPAC2-[[2-[[(2R)-heptan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCCCCC[C@@H](C)NC(=O)CN(C)CC(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C21H35N3O2/c1-7-8-9-10-18(5)22-19(25)13-24(6)14-20(26)23-21-16(3)11-15(2)12-17(21)4/h11-12,18H,7-10,13-14H2,1-6H3,(H,22,25)(H,23,26)/t18-/m1/s1
InChIKeyCSKWCAPVBRIEJM-GOSISDBHSA-N
MW361.53 g/mol
LogP3.57
Rot. Bonds10

About 2-[[2-[[(2R)-heptan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide

2-[[2-[[(2R)-heptan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 8635329) has the molecular formula C21H35N3O2 and a molecular weight of 361.53 g/mol. Its IUPAC name is 2-[[2-[[(2R)-heptan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[[(2R)-heptan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID8635329
Molecular FormulaC21H35N3O2
Molecular Weight361.53 g/mol
Exact Mass361.27
IUPAC Name2-[[2-[[(2R)-heptan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCCCCC[C@@H](C)NC(=O)CN(C)CC(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C21H35N3O2/c1-7-8-9-10-18(5)22-19(25)13-24(6)14-20(26)23-21-16(3)11-15(2)12-17(21)4/h11-12,18H,7-10,13-14H2,1-6H3,(H,22,25)(H,23,26)/t18-/m1/s1
InChIKeyCSKWCAPVBRIEJM-GOSISDBHSA-N
XLogP3.57
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[methyl-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8710546
2-[ethyl(methyl)amino]-N-heptan-2-ylacetamide
CID 71891384
2-[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8622732
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 9338949
2-[[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 9339770
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 31380806
2-(dibutylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 3026196
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 34162909
N-[4-[(2S)-butan-2-yl]phenyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 9339207
2-[methyl-[2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8710584
2-[methyl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8635344
2-[methyl-[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 9043889

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[(2R)-heptan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[[2-[[(2R)-heptan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide (CID 8635329) is 2-[[2-[[(2R)-heptan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[[(2R)-heptan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-[[(2R)-heptan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide is CCCCC[C@@H](C)NC(=O)CN(C)CC(=O)Nc1c(C)cc(C)cc1C.
What is the InChIKey of 2-[[2-[[(2R)-heptan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is CSKWCAPVBRIEJM-GOSISDBHSA-N. The full InChI is InChI=1S/C21H35N3O2/c1-7-8-9-10-18(5)22-19(25)13-24(6)14-20(26)23-21-16(3)11-15(2)12-17(21)4/h11-12,18H,7-10,13-14H2,1-6H3,(H,22,25)(H,23,26)/t18-/m1/s1.
What are the key properties of 2-[[2-[[(2R)-heptan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[[2-[[(2R)-heptan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 361.53 g/mol, XLogP of 3.57, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[(2R)-heptan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 8635329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).