2-(4-tert-butylphenyl)-N-methylacetamide;molecular hydrogen

C13H21NO — CID 176700295

IUPAC2-(4-tert-butylphenyl)-N-methylacetamide;molecular hydrogen
SMILESCNC(=O)Cc1ccc(C(C)(C)C)cc1.[H][H]
InChIInChI=1S/C13H19NO.H2/c1-13(2,3)11-7-5-10(6-8-11)9-12(15)14-4;/h5-8H,9H2,1-4H3,(H,14,15);1H
InChIKeyFNYJDYMBIDRGPY-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.52
Rot. Bonds2

About 2-(4-tert-butylphenyl)-N-methylacetamide;molecular hydrogen

2-(4-tert-butylphenyl)-N-methylacetamide;molecular hydrogen (PubChem CID 176700295) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-N-methylacetamide;molecular hydrogen.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-N-methylacetamide;molecular hydrogen
PubChem CID176700295
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-(4-tert-butylphenyl)-N-methylacetamide;molecular hydrogen
SMILESCNC(=O)Cc1ccc(C(C)(C)C)cc1.[H][H]
InChIInChI=1S/C13H19NO.H2/c1-13(2,3)11-7-5-10(6-8-11)9-12(15)14-4;/h5-8H,9H2,1-4H3,(H,14,15);1H
InChIKeyFNYJDYMBIDRGPY-UHFFFAOYSA-N
XLogP2.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[2-(methylamino)-2-oxoethyl]benzoic acid
CID 139022603
2-(4-ethylphenyl)-N-methylacetamide
CID 56921087
2-[4-(aminomethyl)phenyl]-N-methylacetamide
CID 23301882
1-[(4-tert-butylphenyl)methyl]-1,3-dimethylurea
CID 47127305
1-(4-tert-butylphenyl)-4-hydroxybutan-2-one
CID 141254494
1-(4-tert-butylphenyl)-3-chloropropan-2-one
CID 87878466
1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-2-one
CID 63409816
1-(4-tert-butylphenyl)-4-chlorobutan-2-one
CID 57224368
2-(4-tert-butyl-N-methylanilino)-N-methylacetamide
CID 60562398
4-tert-butyl-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide
CID 54780731
2-[(4-tert-butylphenyl)methoxy]-N'-methylacetohydrazide
CID 116846699
2-amino-3-(4-tert-butylphenyl)-N-methylpropanamide
CID 116850478

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-N-methylacetamide;molecular hydrogen?
The IUPAC name of 2-(4-tert-butylphenyl)-N-methylacetamide;molecular hydrogen (CID 176700295) is 2-(4-tert-butylphenyl)-N-methylacetamide;molecular hydrogen.
What is the SMILES notation for 2-(4-tert-butylphenyl)-N-methylacetamide;molecular hydrogen?
The canonical SMILES for 2-(4-tert-butylphenyl)-N-methylacetamide;molecular hydrogen is CNC(=O)Cc1ccc(C(C)(C)C)cc1.[H][H].
What is the InChIKey of 2-(4-tert-butylphenyl)-N-methylacetamide;molecular hydrogen?
The InChIKey is FNYJDYMBIDRGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.H2/c1-13(2,3)11-7-5-10(6-8-11)9-12(15)14-4;/h5-8H,9H2,1-4H3,(H,14,15);1H.
What are the key properties of 2-(4-tert-butylphenyl)-N-methylacetamide;molecular hydrogen?
2-(4-tert-butylphenyl)-N-methylacetamide;molecular hydrogen has a molecular weight of 207.32 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-N-methylacetamide;molecular hydrogen is sourced from PubChem (CID 176700295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).