N-(2,5-dimethylphenyl)-N-ethyl-4-methylpentanamide

C16H25NO — CID 78853870

IUPACN-(2,5-dimethylphenyl)-N-ethyl-4-methylpentanamide
SMILESCCN(C(=O)CCC(C)C)c1cc(C)ccc1C
InChIInChI=1S/C16H25NO/c1-6-17(16(18)10-7-12(2)3)15-11-13(4)8-9-14(15)5/h8-9,11-12H,6-7,10H2,1-5H3
InChIKeySZZVQFLOSWJQBP-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.09
Rot. Bonds5

About N-(2,5-dimethylphenyl)-N-ethyl-4-methylpentanamide

N-(2,5-dimethylphenyl)-N-ethyl-4-methylpentanamide (PubChem CID 78853870) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-N-ethyl-4-methylpentanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-N-ethyl-4-methylpentanamide
PubChem CID78853870
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-(2,5-dimethylphenyl)-N-ethyl-4-methylpentanamide
SMILESCCN(C(=O)CCC(C)C)c1cc(C)ccc1C
InChIInChI=1S/C16H25NO/c1-6-17(16(18)10-7-12(2)3)15-11-13(4)8-9-14(15)5/h8-9,11-12H,6-7,10H2,1-5H3
InChIKeySZZVQFLOSWJQBP-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,5-dimethylphenyl)-N-ethylcarbamate
CID 57353487
2-chloro-N-(2,4-dimethylphenyl)-N-ethylacetamide
CID 131561562
3-(N-acetyl-2,5-dimethylanilino)-N,N-diethylpropanamide
CID 113124355
2-[4-methyl-N-(4-methylpentanoyl)anilino]acetic acid
CID 60830764
N-ethyl-N-(5-hydroxy-2-methylphenyl)heptanamide
CID 114753046
N-(2,4-dimethylphenyl)-N-ethyl-2-methylpropanamide
CID 78853766
2-(2,5-dimethyl-N-propan-2-ylanilino)acetic acid
CID 119958661
N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 107734471
N-(2,5-dimethylphenyl)-N-ethyl-3,5-difluorobenzamide
CID 52574596
N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-phenylpropanamide
CID 28740208
3-(N-butanoyl-2,4-dimethylanilino)-2-methylpropanoic acid
CID 82320825
3-(2,5-dimethyl-N-propylanilino)-2-methylpropanoic acid
CID 82317845

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-N-ethyl-4-methylpentanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-N-ethyl-4-methylpentanamide (CID 78853870) is N-(2,5-dimethylphenyl)-N-ethyl-4-methylpentanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-N-ethyl-4-methylpentanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-N-ethyl-4-methylpentanamide is CCN(C(=O)CCC(C)C)c1cc(C)ccc1C.
What is the InChIKey of N-(2,5-dimethylphenyl)-N-ethyl-4-methylpentanamide?
The InChIKey is SZZVQFLOSWJQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-6-17(16(18)10-7-12(2)3)15-11-13(4)8-9-14(15)5/h8-9,11-12H,6-7,10H2,1-5H3.
What are the key properties of N-(2,5-dimethylphenyl)-N-ethyl-4-methylpentanamide?
N-(2,5-dimethylphenyl)-N-ethyl-4-methylpentanamide has a molecular weight of 247.38 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-N-ethyl-4-methylpentanamide is sourced from PubChem (CID 78853870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).