N-[(3,5-dimethylphenyl)methyl]-2,4-dimethylpentanamide

C16H25NO — CID 145198454

IUPACN-[(3,5-dimethylphenyl)methyl]-2,4-dimethylpentanamide
SMILESCc1cc(C)cc(CNC(=O)C(C)CC(C)C)c1
InChIInChI=1S/C16H25NO/c1-11(2)6-14(5)16(18)17-10-15-8-12(3)7-13(4)9-15/h7-9,11,14H,6,10H2,1-5H3,(H,17,18)
InChIKeyGWCCLBGDCFKZNM-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.60
Rot. Bonds5

About N-[(3,5-dimethylphenyl)methyl]-2,4-dimethylpentanamide

N-[(3,5-dimethylphenyl)methyl]-2,4-dimethylpentanamide (PubChem CID 145198454) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)methyl]-2,4-dimethylpentanamide.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)methyl]-2,4-dimethylpentanamide
PubChem CID145198454
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[(3,5-dimethylphenyl)methyl]-2,4-dimethylpentanamide
SMILESCc1cc(C)cc(CNC(=O)C(C)CC(C)C)c1
InChIInChI=1S/C16H25NO/c1-11(2)6-14(5)16(18)17-10-15-8-12(3)7-13(4)9-15/h7-9,11,14H,6,10H2,1-5H3,(H,17,18)
InChIKeyGWCCLBGDCFKZNM-UHFFFAOYSA-N
XLogP3.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-[[2-[3-(3,5-dimethylphenyl)propanoylamino]acetyl]amino]-4-methylpentanoic acid
CID 120695545
2-chloro-N-[(3,5-dimethylphenyl)methyl]acetamide
CID 12767964
(2S)-2-amino-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methylpentanamide
CID 71731531
(2S)-2-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-methylpentanamide
CID 119806715
ethane;2-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 169133923
4-chloro-N-[4-methyl-1-[(4-methylphenyl)methylamino]-1-oxopentan-2-yl]benzamide
CID 51064823
2,4-dimethyl-N-(4-methylphenyl)pentanamide
CID 170275837
(2R)-2-(3,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 99132130
2-(carbamoylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]-4-methylpentanamide
CID 107232747
(2R)-N-benzyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 9336999
1-chloro-N-[(3,5-dimethylphenyl)methyl]-4-methylpentan-2-amine
CID 65025716
(2R)-2-amino-N-[(5-methyl-3-pyridinyl)methyl]propanamide
CID 131176705

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)methyl]-2,4-dimethylpentanamide?
The IUPAC name of N-[(3,5-dimethylphenyl)methyl]-2,4-dimethylpentanamide (CID 145198454) is N-[(3,5-dimethylphenyl)methyl]-2,4-dimethylpentanamide.
What is the SMILES notation for N-[(3,5-dimethylphenyl)methyl]-2,4-dimethylpentanamide?
The canonical SMILES for N-[(3,5-dimethylphenyl)methyl]-2,4-dimethylpentanamide is Cc1cc(C)cc(CNC(=O)C(C)CC(C)C)c1.
What is the InChIKey of N-[(3,5-dimethylphenyl)methyl]-2,4-dimethylpentanamide?
The InChIKey is GWCCLBGDCFKZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11(2)6-14(5)16(18)17-10-15-8-12(3)7-13(4)9-15/h7-9,11,14H,6,10H2,1-5H3,(H,17,18).
What are the key properties of N-[(3,5-dimethylphenyl)methyl]-2,4-dimethylpentanamide?
N-[(3,5-dimethylphenyl)methyl]-2,4-dimethylpentanamide has a molecular weight of 247.38 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylphenyl)methyl]-2,4-dimethylpentanamide is sourced from PubChem (CID 145198454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).