N-tert-butyl-3-methyl-3-(4-methylphenoxy)butanamide

C16H25NO2 — CID 165032622

IUPACN-tert-butyl-3-methyl-3-(4-methylphenoxy)butanamide
SMILESCc1ccc(OC(C)(C)CC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-12-7-9-13(10-8-12)19-16(5,6)11-14(18)17-15(2,3)4/h7-10H,11H2,1-6H3,(H,17,18)
InChIKeyMXAGIQCNBGGZLO-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.46
Rot. Bonds4

About N-tert-butyl-3-methyl-3-(4-methylphenoxy)butanamide

N-tert-butyl-3-methyl-3-(4-methylphenoxy)butanamide (PubChem CID 165032622) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-tert-butyl-3-methyl-3-(4-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-tert-butyl-3-methyl-3-(4-methylphenoxy)butanamide
PubChem CID165032622
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-tert-butyl-3-methyl-3-(4-methylphenoxy)butanamide
SMILESCc1ccc(OC(C)(C)CC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-12-7-9-13(10-8-12)19-16(5,6)11-14(18)17-15(2,3)4/h7-10H,11H2,1-6H3,(H,17,18)
InChIKeyMXAGIQCNBGGZLO-UHFFFAOYSA-N
XLogP3.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-5-(4-methylphenoxy)hexanoic acid
CID 70564021
1-[2,4-dimethyl-4-(4-methylphenoxy)pentan-2-yl]oxy-4-methylbenzene
CID 142305677
1-methyl-4-(2-methylbutan-2-yloxy)benzene
CID 572689
N-tert-butyl-2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoacetamide
CID 3108520
4-methyl-4-[4-[2-(4-methylphenyl)acetyl]phenoxy]pentan-2-one
CID 153375381
4-methyl-4-[4-[2-(4-methylphenyl)ethoxy]phenoxy]pentan-2-one
CID 153375370
N-tert-butyl-2-[[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]acetamide
CID 24633483
N-tert-butyl-3-(4-methylanilino)propanamide
CID 109031320
1-methyl-4-(2-methylpentan-2-yloxy)benzene
CID 163980020
N-tert-butyl-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide
CID 134534514
N-(4-methylphenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide
CID 110437429
1-methyl-4-[4-(2-methylbutan-2-yloxy)phenoxy]benzene
CID 145340247

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-methyl-3-(4-methylphenoxy)butanamide?
The IUPAC name of N-tert-butyl-3-methyl-3-(4-methylphenoxy)butanamide (CID 165032622) is N-tert-butyl-3-methyl-3-(4-methylphenoxy)butanamide.
What is the SMILES notation for N-tert-butyl-3-methyl-3-(4-methylphenoxy)butanamide?
The canonical SMILES for N-tert-butyl-3-methyl-3-(4-methylphenoxy)butanamide is Cc1ccc(OC(C)(C)CC(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-3-methyl-3-(4-methylphenoxy)butanamide?
The InChIKey is MXAGIQCNBGGZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-7-9-13(10-8-12)19-16(5,6)11-14(18)17-15(2,3)4/h7-10H,11H2,1-6H3,(H,17,18).
What are the key properties of N-tert-butyl-3-methyl-3-(4-methylphenoxy)butanamide?
N-tert-butyl-3-methyl-3-(4-methylphenoxy)butanamide has a molecular weight of 263.38 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-methyl-3-(4-methylphenoxy)butanamide is sourced from PubChem (CID 165032622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).