2-(2-methyl-6-propan-2-ylanilino)-N-propan-2-ylacetamide

C15H24N2O — CID 108992863

IUPAC2-(2-methyl-6-propan-2-ylanilino)-N-propan-2-ylacetamide
SMILESCc1cccc(C(C)C)c1NCC(=O)NC(C)C
InChIInChI=1S/C15H24N2O/c1-10(2)13-8-6-7-12(5)15(13)16-9-14(18)17-11(3)4/h6-8,10-11,16H,9H2,1-5H3,(H,17,18)
InChIKeyISDAPMVCYBWDOC-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.05
Rot. Bonds5

About 2-(2-methyl-6-propan-2-ylanilino)-N-propan-2-ylacetamide

2-(2-methyl-6-propan-2-ylanilino)-N-propan-2-ylacetamide (PubChem CID 108992863) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(2-methyl-6-propan-2-ylanilino)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-methyl-6-propan-2-ylanilino)-N-propan-2-ylacetamide
PubChem CID108992863
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(2-methyl-6-propan-2-ylanilino)-N-propan-2-ylacetamide
SMILESCc1cccc(C(C)C)c1NCC(=O)NC(C)C
InChIInChI=1S/C15H24N2O/c1-10(2)13-8-6-7-12(5)15(13)16-9-14(18)17-11(3)4/h6-8,10-11,16H,9H2,1-5H3,(H,17,18)
InChIKeyISDAPMVCYBWDOC-UHFFFAOYSA-N
XLogP3.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methyl-6-propan-2-ylanilino)-1-pyrrolidin-1-ylethanone
CID 108993428
N-[(4-methylphenyl)methyl]-2-(2-methyl-6-propan-2-ylanilino)acetamide
CID 108997202
methyl 4-[[2-(2-methyl-6-propan-2-ylanilino)acetyl]amino]benzoate
CID 109008109
2-(2-carbamothioyl-6-methylanilino)-N-propan-2-ylacetamide
CID 107107885
2-(methylamino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 119674500
ethyl 2-[[2-(2-methyl-6-propan-2-ylanilino)acetyl]amino]benzoate
CID 109008126
(2R)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 8912935
methyl-[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8912939
2-(4-acetylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 109008153
N-(2-methyl-6-propan-2-ylphenyl)-2-sulfanylacetamide
CID 715390
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
methyl 4-chloro-3-[[2-(2-methyl-6-propan-2-ylanilino)acetyl]amino]benzoate
CID 109008110

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-6-propan-2-ylanilino)-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-methyl-6-propan-2-ylanilino)-N-propan-2-ylacetamide (CID 108992863) is 2-(2-methyl-6-propan-2-ylanilino)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-methyl-6-propan-2-ylanilino)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-methyl-6-propan-2-ylanilino)-N-propan-2-ylacetamide is Cc1cccc(C(C)C)c1NCC(=O)NC(C)C.
What is the InChIKey of 2-(2-methyl-6-propan-2-ylanilino)-N-propan-2-ylacetamide?
The InChIKey is ISDAPMVCYBWDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-10(2)13-8-6-7-12(5)15(13)16-9-14(18)17-11(3)4/h6-8,10-11,16H,9H2,1-5H3,(H,17,18).
What are the key properties of 2-(2-methyl-6-propan-2-ylanilino)-N-propan-2-ylacetamide?
2-(2-methyl-6-propan-2-ylanilino)-N-propan-2-ylacetamide has a molecular weight of 248.37 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-6-propan-2-ylanilino)-N-propan-2-ylacetamide is sourced from PubChem (CID 108992863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).