N-benzyl-2-methylpropanamide;methane

C13H23NO — CID 160760567

IUPACN-benzyl-2-methylpropanamide;methane
SMILESC.C.CC(C)C(=O)NCc1ccccc1
InChIInChI=1S/C11H15NO.2CH4/c1-9(2)11(13)12-8-10-6-4-3-5-7-10;;/h3-7,9H,8H2,1-2H3,(H,12,13);2*1H4
InChIKeyRXZWNZOZOKGUPQ-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.23
Rot. Bonds3

About N-benzyl-2-methylpropanamide;methane

N-benzyl-2-methylpropanamide;methane (PubChem CID 160760567) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-benzyl-2-methylpropanamide;methane.

Molecular Properties

Compound NameN-benzyl-2-methylpropanamide;methane
PubChem CID160760567
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-benzyl-2-methylpropanamide;methane
SMILESC.C.CC(C)C(=O)NCc1ccccc1
InChIInChI=1S/C11H15NO.2CH4/c1-9(2)11(13)12-8-10-6-4-3-5-7-10;;/h3-7,9H,8H2,1-2H3,(H,12,13);2*1H4
InChIKeyRXZWNZOZOKGUPQ-UHFFFAOYSA-N
XLogP3.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide
CID 4168870
(2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide
CID 71428233
(2S)-2-amino-N-benzyl-3-methylbutanamide
CID 11063601
2,3-diamino-N-benzylbutanamide
CID 143155055
2-amino-N-benzyl-3-methylbutanamide
CID 14404632
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 59487519
2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride
CID 174557988
(2S)-N-benzyl-2-hydroxy-4-methylpentanamide
CID 10822877
N-benzyl-3-methyl-2-(methylamino)butanamide
CID 21365821
(2R)-N-benzyl-3-methoxy-2-methylpropanamide
CID 12051861
(2S,3R)-N-benzyl-3-hydrazinyl-2-hydroxybutanamide
CID 71428235
(2R)-N-benzyl-2-(chloroamino)-3-methylbutanamide
CID 88902404

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methylpropanamide;methane?
The IUPAC name of N-benzyl-2-methylpropanamide;methane (CID 160760567) is N-benzyl-2-methylpropanamide;methane.
What is the SMILES notation for N-benzyl-2-methylpropanamide;methane?
The canonical SMILES for N-benzyl-2-methylpropanamide;methane is C.C.CC(C)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-methylpropanamide;methane?
The InChIKey is RXZWNZOZOKGUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.2CH4/c1-9(2)11(13)12-8-10-6-4-3-5-7-10;;/h3-7,9H,8H2,1-2H3,(H,12,13);2*1H4.
What are the key properties of N-benzyl-2-methylpropanamide;methane?
N-benzyl-2-methylpropanamide;methane has a molecular weight of 209.33 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methylpropanamide;methane is sourced from PubChem (CID 160760567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).