N-(4-acetamidophenyl)-N,3-dimethylbutanamide

C14H20N2O2 — CID 113094936

IUPACN-(4-acetamidophenyl)-N,3-dimethylbutanamide
SMILESCC(=O)Nc1ccc(N(C)C(=O)CC(C)C)cc1
InChIInChI=1S/C14H20N2O2/c1-10(2)9-14(18)16(4)13-7-5-12(6-8-13)15-11(3)17/h5-8,10H,9H2,1-4H3,(H,15,17)
InChIKeyOVVIULFUDTZVGD-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.65
Rot. Bonds4

About N-(4-acetamidophenyl)-N,3-dimethylbutanamide

N-(4-acetamidophenyl)-N,3-dimethylbutanamide (PubChem CID 113094936) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-N,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-N,3-dimethylbutanamide
PubChem CID113094936
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(4-acetamidophenyl)-N,3-dimethylbutanamide
SMILESCC(=O)Nc1ccc(N(C)C(=O)CC(C)C)cc1
InChIInChI=1S/C14H20N2O2/c1-10(2)9-14(18)16(4)13-7-5-12(6-8-13)15-11(3)17/h5-8,10H,9H2,1-4H3,(H,15,17)
InChIKeyOVVIULFUDTZVGD-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dimethylphenyl)-N,3-dimethylbutanamide
CID 123550338
N-[4-(3-aminopropyl)phenyl]-N,3-dimethylbutanamide
CID 28755736
N-(4-acetamidophenyl)-N-methyl-2,2-diphenylacetamide
CID 113094960
5-[methyl(3-methylbutanoyl)amino]pyridine-2-carboxylic acid
CID 115268096
3-methyl-N-[4-(methylamino)phenyl]butanamide
CID 63090374
2-hydroxy-N-methyl-N-[4-(2-methylpropyl)phenyl]acetamide
CID 115139668
4-acetamido-N-methyl-N-phenylbenzamide
CID 669468
(2R)-2-(4-acetamidoanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 41236597
CID 59369453
CID 59369453
N-(4-acetamidophenyl)-N-methylcyclobutanecarboxamide
CID 113095001
N-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 977789
N-[4-[bis(2-chloroethyl)amino]phenyl]acetamide
CID 14613

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-N,3-dimethylbutanamide?
The IUPAC name of N-(4-acetamidophenyl)-N,3-dimethylbutanamide (CID 113094936) is N-(4-acetamidophenyl)-N,3-dimethylbutanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-N,3-dimethylbutanamide?
The canonical SMILES for N-(4-acetamidophenyl)-N,3-dimethylbutanamide is CC(=O)Nc1ccc(N(C)C(=O)CC(C)C)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-N,3-dimethylbutanamide?
The InChIKey is OVVIULFUDTZVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(2)9-14(18)16(4)13-7-5-12(6-8-13)15-11(3)17/h5-8,10H,9H2,1-4H3,(H,15,17).
What are the key properties of N-(4-acetamidophenyl)-N,3-dimethylbutanamide?
N-(4-acetamidophenyl)-N,3-dimethylbutanamide has a molecular weight of 248.33 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-N,3-dimethylbutanamide is sourced from PubChem (CID 113094936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).