N-(3,5-dimethylphenyl)-N-pentan-3-ylpropanamide

C16H25NO — CID 142120576

IUPACN-(3,5-dimethylphenyl)-N-pentan-3-ylpropanamide
SMILESCCC(=O)N(c1cc(C)cc(C)c1)C(CC)CC
InChIInChI=1S/C16H25NO/c1-6-14(7-2)17(16(18)8-3)15-10-12(4)9-13(5)11-15/h9-11,14H,6-8H2,1-5H3
InChIKeyULAPWVAAZFBQGN-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.24
Rot. Bonds5

About N-(3,5-dimethylphenyl)-N-pentan-3-ylpropanamide

N-(3,5-dimethylphenyl)-N-pentan-3-ylpropanamide (PubChem CID 142120576) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-N-pentan-3-ylpropanamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-N-pentan-3-ylpropanamide
PubChem CID142120576
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-(3,5-dimethylphenyl)-N-pentan-3-ylpropanamide
SMILESCCC(=O)N(c1cc(C)cc(C)c1)C(CC)CC
InChIInChI=1S/C16H25NO/c1-6-14(7-2)17(16(18)8-3)15-10-12(4)9-13(5)11-15/h9-11,14H,6-8H2,1-5H3
InChIKeyULAPWVAAZFBQGN-UHFFFAOYSA-N
XLogP4.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-N-pentan-3-ylpropanamide?
The IUPAC name of N-(3,5-dimethylphenyl)-N-pentan-3-ylpropanamide (CID 142120576) is N-(3,5-dimethylphenyl)-N-pentan-3-ylpropanamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-N-pentan-3-ylpropanamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-N-pentan-3-ylpropanamide is CCC(=O)N(c1cc(C)cc(C)c1)C(CC)CC.
What is the InChIKey of N-(3,5-dimethylphenyl)-N-pentan-3-ylpropanamide?
The InChIKey is ULAPWVAAZFBQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-6-14(7-2)17(16(18)8-3)15-10-12(4)9-13(5)11-15/h9-11,14H,6-8H2,1-5H3.
What are the key properties of N-(3,5-dimethylphenyl)-N-pentan-3-ylpropanamide?
N-(3,5-dimethylphenyl)-N-pentan-3-ylpropanamide has a molecular weight of 247.38 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-N-pentan-3-ylpropanamide is sourced from PubChem (CID 142120576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).