ethane;2-methyl-N-propan-2-ylbenzamide

C13H21NO — CID 164554205

IUPACethane;2-methyl-N-propan-2-ylbenzamide
SMILESCC.Cc1ccccc1C(=O)NC(C)C
InChIInChI=1S/C11H15NO.C2H6/c1-8(2)12-11(13)10-7-5-4-6-9(10)3;1-2/h4-8H,1-3H3,(H,12,13);1-2H3
InChIKeyBXCNKLSFBWLKCT-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.16
Rot. Bonds2

About ethane;2-methyl-N-propan-2-ylbenzamide

ethane;2-methyl-N-propan-2-ylbenzamide (PubChem CID 164554205) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is ethane;2-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Nameethane;2-methyl-N-propan-2-ylbenzamide
PubChem CID164554205
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Nameethane;2-methyl-N-propan-2-ylbenzamide
SMILESCC.Cc1ccccc1C(=O)NC(C)C
InChIInChI=1S/C11H15NO.C2H6/c1-8(2)12-11(13)10-7-5-4-6-9(10)3;1-2/h4-8H,1-3H3,(H,12,13);1-2H3
InChIKeyBXCNKLSFBWLKCT-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-methylbenzoyl)amino]ethylphosphanide
CID 156861334
sodium 1-[(2-methylbenzoyl)amino]ethylphosphanide
CID 156861333
2-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346
(2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoic acid
CID 2393671
N,2-di(propan-2-yl)benzamide
CID 14972595
2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 30386627
2-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17197346
2-ethenyl-3-methyl-N-propan-2-ylbenzamide
CID 169452425
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 42908748
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methylbenzamide
CID 28633869
N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2-methylbenzamide
CID 51940796
(2S)-2-[(2-methylbenzoyl)amino]butanedioic acid
CID 15342112

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-N-propan-2-ylbenzamide?
The IUPAC name of ethane;2-methyl-N-propan-2-ylbenzamide (CID 164554205) is ethane;2-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for ethane;2-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for ethane;2-methyl-N-propan-2-ylbenzamide is CC.Cc1ccccc1C(=O)NC(C)C.
What is the InChIKey of ethane;2-methyl-N-propan-2-ylbenzamide?
The InChIKey is BXCNKLSFBWLKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.C2H6/c1-8(2)12-11(13)10-7-5-4-6-9(10)3;1-2/h4-8H,1-3H3,(H,12,13);1-2H3.
What are the key properties of ethane;2-methyl-N-propan-2-ylbenzamide?
ethane;2-methyl-N-propan-2-ylbenzamide has a molecular weight of 207.32 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 164554205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).