3-acetamido-N-methyl-N-(2-methylpropyl)benzamide

C14H20N2O2 — CID 47163271

IUPAC3-acetamido-N-methyl-N-(2-methylpropyl)benzamide
SMILESCC(=O)Nc1cccc(C(=O)N(C)CC(C)C)c1
InChIInChI=1S/C14H20N2O2/c1-10(2)9-16(4)14(18)12-6-5-7-13(8-12)15-11(3)17/h5-8,10H,9H2,1-4H3,(H,15,17)
InChIKeyDPUDPDAPHIKGLI-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.37
Rot. Bonds4

About 3-acetamido-N-methyl-N-(2-methylpropyl)benzamide

3-acetamido-N-methyl-N-(2-methylpropyl)benzamide (PubChem CID 47163271) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-acetamido-N-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-acetamido-N-methyl-N-(2-methylpropyl)benzamide
PubChem CID47163271
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-acetamido-N-methyl-N-(2-methylpropyl)benzamide
SMILESCC(=O)Nc1cccc(C(=O)N(C)CC(C)C)c1
InChIInChI=1S/C14H20N2O2/c1-10(2)9-16(4)14(18)12-6-5-7-13(8-12)15-11(3)17/h5-8,10H,9H2,1-4H3,(H,15,17)
InChIKeyDPUDPDAPHIKGLI-UHFFFAOYSA-N
XLogP2.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,2-dimethylpropanoylamino)-N-methyl-N-(2-methylpropyl)benzamide
CID 134058978
3-(3-acetylphenyl)-1-methyl-1-(2-methylpropyl)urea
CID 47364374
3-bromo-N-methyl-N-(2-methylpropyl)benzamide
CID 43243440
3-acetamido-N-(3-methylbutyl)benzamide
CID 17458569
3-(chloromethyl)-N-methyl-N-(2-methylpropyl)benzamide
CID 43271895
3-acetamido-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 27795286
3-acetamido-N-[(2-chlorophenyl)methyl]-N-methylbenzamide
CID 7677286
3-acetamido-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 9441407
N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(2-methylpropanoylamino)benzamide
CID 131947258
3-(2,2-dimethylpropanoylamino)-N-ethyl-N-methylbenzamide
CID 134063370
3-[(3-chlorophenyl)sulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide
CID 134058784
3-acetamido-N-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 110752365

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-methyl-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-acetamido-N-methyl-N-(2-methylpropyl)benzamide (CID 47163271) is 3-acetamido-N-methyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-acetamido-N-methyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-acetamido-N-methyl-N-(2-methylpropyl)benzamide is CC(=O)Nc1cccc(C(=O)N(C)CC(C)C)c1.
What is the InChIKey of 3-acetamido-N-methyl-N-(2-methylpropyl)benzamide?
The InChIKey is DPUDPDAPHIKGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(2)9-16(4)14(18)12-6-5-7-13(8-12)15-11(3)17/h5-8,10H,9H2,1-4H3,(H,15,17).
What are the key properties of 3-acetamido-N-methyl-N-(2-methylpropyl)benzamide?
3-acetamido-N-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 248.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 47163271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).