2-(3-butan-2-yloxyanilino)-N-methylacetamide

C13H20N2O2 — CID 54830374

IUPAC2-(3-butan-2-yloxyanilino)-N-methylacetamide
SMILESCCC(C)Oc1cccc(NCC(=O)NC)c1
InChIInChI=1S/C13H20N2O2/c1-4-10(2)17-12-7-5-6-11(8-12)15-9-13(16)14-3/h5-8,10,15H,4,9H2,1-3H3,(H,14,16)
InChIKeyNKRMTYKZEBYXGC-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.02
Rot. Bonds6

About 2-(3-butan-2-yloxyanilino)-N-methylacetamide

2-(3-butan-2-yloxyanilino)-N-methylacetamide (PubChem CID 54830374) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(3-butan-2-yloxyanilino)-N-methylacetamide.

Molecular Properties

Compound Name2-(3-butan-2-yloxyanilino)-N-methylacetamide
PubChem CID54830374
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(3-butan-2-yloxyanilino)-N-methylacetamide
SMILESCCC(C)Oc1cccc(NCC(=O)NC)c1
InChIInChI=1S/C13H20N2O2/c1-4-10(2)17-12-7-5-6-11(8-12)15-9-13(16)14-3/h5-8,10,15H,4,9H2,1-3H3,(H,14,16)
InChIKeyNKRMTYKZEBYXGC-UHFFFAOYSA-N
XLogP2.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-butan-2-yloxyanilino)acetic acid
CID 62328764
3-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-methylbenzamide
CID 54829841
2-(3-butan-2-yloxyanilino)-N-(2-methylbutan-2-yl)acetamide
CID 62328408
N-[4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835772
2-(3-butan-2-yloxyanilino)-1-pyrrolidin-1-ylethanone
CID 62328413
4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54829387
N-(3-butan-2-yloxyphenyl)-2-(3-chloro-4-methylanilino)acetamide
CID 54815838
N-(3-butan-2-yloxyphenyl)-2-(4-phenoxyanilino)acetamide
CID 54812451
3-(3-butan-2-yloxyanilino)-N-ethylpropanamide
CID 62327713
2-(3-butan-2-yloxyanilino)ethanol
CID 62328235
methyl 4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]benzoate
CID 54817038
2-(3-butan-2-yloxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide
CID 54829963

Frequently Asked Questions

What is the IUPAC name of 2-(3-butan-2-yloxyanilino)-N-methylacetamide?
The IUPAC name of 2-(3-butan-2-yloxyanilino)-N-methylacetamide (CID 54830374) is 2-(3-butan-2-yloxyanilino)-N-methylacetamide.
What is the SMILES notation for 2-(3-butan-2-yloxyanilino)-N-methylacetamide?
The canonical SMILES for 2-(3-butan-2-yloxyanilino)-N-methylacetamide is CCC(C)Oc1cccc(NCC(=O)NC)c1.
What is the InChIKey of 2-(3-butan-2-yloxyanilino)-N-methylacetamide?
The InChIKey is NKRMTYKZEBYXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-10(2)17-12-7-5-6-11(8-12)15-9-13(16)14-3/h5-8,10,15H,4,9H2,1-3H3,(H,14,16).
What are the key properties of 2-(3-butan-2-yloxyanilino)-N-methylacetamide?
2-(3-butan-2-yloxyanilino)-N-methylacetamide has a molecular weight of 236.31 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butan-2-yloxyanilino)-N-methylacetamide is sourced from PubChem (CID 54830374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).