N,N-dimethyl-4-(3-methylbutanoylamino)benzamide

C14H20N2O2 — CID 38105549

IUPACN,N-dimethyl-4-(3-methylbutanoylamino)benzamide
SMILESCC(C)CC(=O)Nc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C14H20N2O2/c1-10(2)9-13(17)15-12-7-5-11(6-8-12)14(18)16(3)4/h5-8,10H,9H2,1-4H3,(H,15,17)
InChIKeyQUNCOPDKULDBTR-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.37
Rot. Bonds4

About N,N-dimethyl-4-(3-methylbutanoylamino)benzamide

N,N-dimethyl-4-(3-methylbutanoylamino)benzamide (PubChem CID 38105549) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N,N-dimethyl-4-(3-methylbutanoylamino)benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(3-methylbutanoylamino)benzamide
PubChem CID38105549
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN,N-dimethyl-4-(3-methylbutanoylamino)benzamide
SMILESCC(C)CC(=O)Nc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C14H20N2O2/c1-10(2)9-13(17)15-12-7-5-11(6-8-12)14(18)16(3)4/h5-8,10H,9H2,1-4H3,(H,15,17)
InChIKeyQUNCOPDKULDBTR-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

N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide
CID 17368155
N,N-dimethyl-4-[[(3S)-3-phenylbutanoyl]amino]benzamide
CID 8698353
4-(4-hydroxypentanoylamino)-N,N-dimethylbenzamide
CID 79191364
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-methylpropanoate
CID 7782647
N,N-dimethyl-4-[[2-[(2R)-3-methylbutan-2-yl]sulfanylacetyl]amino]benzamide
CID 96538513
N-(4-hydroxyphenyl)-3-methylbutanamide
CID 836029
3-methyl-N-[4-(methylamino)phenyl]butanamide
CID 63090374
4-(3-methylbutanoylamino)-N-propan-2-ylbenzamide
CID 47294536
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 8897914
4-(2-ethylbutanoylamino)-N,N-dimethylbenzamide
CID 17309176
N-[4-(3-methylbutanoylamino)phenyl]-4-propan-2-ylbenzamide
CID 17194143
N,N-dimethyl-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54820375

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(3-methylbutanoylamino)benzamide?
The IUPAC name of N,N-dimethyl-4-(3-methylbutanoylamino)benzamide (CID 38105549) is N,N-dimethyl-4-(3-methylbutanoylamino)benzamide.
What is the SMILES notation for N,N-dimethyl-4-(3-methylbutanoylamino)benzamide?
The canonical SMILES for N,N-dimethyl-4-(3-methylbutanoylamino)benzamide is CC(C)CC(=O)Nc1ccc(C(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-(3-methylbutanoylamino)benzamide?
The InChIKey is QUNCOPDKULDBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(2)9-13(17)15-12-7-5-11(6-8-12)14(18)16(3)4/h5-8,10H,9H2,1-4H3,(H,15,17).
What are the key properties of N,N-dimethyl-4-(3-methylbutanoylamino)benzamide?
N,N-dimethyl-4-(3-methylbutanoylamino)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 N,N-dimethyl-4-(3-methylbutanoylamino)benzamide is sourced from PubChem (CID 38105549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).