(2R)-2-(5-tert-butyl-2-methoxyanilino)-N,N-dimethylpropanamide

C16H26N2O2 — CID 9044303

IUPAC(2R)-2-(5-tert-butyl-2-methoxyanilino)-N,N-dimethylpropanamide
SMILESCOc1ccc(C(C)(C)C)cc1N[C@H](C)C(=O)N(C)C
InChIInChI=1S/C16H26N2O2/c1-11(15(19)18(5)6)17-13-10-12(16(2,3)4)8-9-14(13)20-7/h8-11,17H,1-7H3/t11-/m1/s1
InChIKeyGNJKWSZEMTWSDG-LLVKDONJSA-N
MW278.40 g/mol
LogP2.88
Rot. Bonds4

About (2R)-2-(5-tert-butyl-2-methoxyanilino)-N,N-dimethylpropanamide

(2R)-2-(5-tert-butyl-2-methoxyanilino)-N,N-dimethylpropanamide (PubChem CID 9044303) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (2R)-2-(5-tert-butyl-2-methoxyanilino)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name(2R)-2-(5-tert-butyl-2-methoxyanilino)-N,N-dimethylpropanamide
PubChem CID9044303
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(2R)-2-(5-tert-butyl-2-methoxyanilino)-N,N-dimethylpropanamide
SMILESCOc1ccc(C(C)(C)C)cc1N[C@H](C)C(=O)N(C)C
InChIInChI=1S/C16H26N2O2/c1-11(15(19)18(5)6)17-13-10-12(16(2,3)4)8-9-14(13)20-7/h8-11,17H,1-7H3/t11-/m1/s1
InChIKeyGNJKWSZEMTWSDG-LLVKDONJSA-N
XLogP2.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethoxyanilino)-N,N-dimethylpropanamide
CID 43085475
2-(4-methoxy-3-methylanilino)-N,N-dimethylpropanamide
CID 54964418
2-amino-N-(5-tert-butyl-2-methoxyphenyl)propanamide
CID 43424856
N-(1,3-benzodioxol-5-ylmethyl)-2-(5-tert-butyl-2-methoxyanilino)propanamide
CID 45029684
5-tert-butyl-2-methoxy-N-pentan-2-ylaniline
CID 43681220
(2R)-2-amino-N-(5-tert-butyl-2-methoxyphenyl)-3,3-dimethylbutanamide
CID 103928652
N-(5-tert-butyl-2-methoxyphenyl)-4-propan-2-ylbenzamide
CID 7935956
2-(4,5-dimethoxy-2-nitroanilino)-N,N-dimethylpropanamide
CID 83005503
4-tert-butyl-2-(dimethylsulfamoylamino)-1-methoxybenzene
CID 110776709
5-tert-butyl-2-methoxy-N',N'-dimethylbenzohydrazide
CID 116847946
N-(5-tert-butyl-2-methoxyphenyl)-2-methyl-2-(methylamino)propanamide
CID 62836730
N-(5-tert-butyl-2-methoxyphenyl)-2-methoxyacetamide
CID 24657024

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-tert-butyl-2-methoxyanilino)-N,N-dimethylpropanamide?
The IUPAC name of (2R)-2-(5-tert-butyl-2-methoxyanilino)-N,N-dimethylpropanamide (CID 9044303) is (2R)-2-(5-tert-butyl-2-methoxyanilino)-N,N-dimethylpropanamide.
What is the SMILES notation for (2R)-2-(5-tert-butyl-2-methoxyanilino)-N,N-dimethylpropanamide?
The canonical SMILES for (2R)-2-(5-tert-butyl-2-methoxyanilino)-N,N-dimethylpropanamide is COc1ccc(C(C)(C)C)cc1N[C@H](C)C(=O)N(C)C.
What is the InChIKey of (2R)-2-(5-tert-butyl-2-methoxyanilino)-N,N-dimethylpropanamide?
The InChIKey is GNJKWSZEMTWSDG-LLVKDONJSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11(15(19)18(5)6)17-13-10-12(16(2,3)4)8-9-14(13)20-7/h8-11,17H,1-7H3/t11-/m1/s1.
What are the key properties of (2R)-2-(5-tert-butyl-2-methoxyanilino)-N,N-dimethylpropanamide?
(2R)-2-(5-tert-butyl-2-methoxyanilino)-N,N-dimethylpropanamide has a molecular weight of 278.40 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-tert-butyl-2-methoxyanilino)-N,N-dimethylpropanamide is sourced from PubChem (CID 9044303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).