N-(2,4-dimethylphenyl)-2-methylidenepentanamide

C14H19NO — CID 141225698

IUPACN-(2,4-dimethylphenyl)-2-methylidenepentanamide
SMILESC=C(CCC)C(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C14H19NO/c1-5-6-11(3)14(16)15-13-8-7-10(2)9-12(13)4/h7-9H,3,5-6H2,1-2,4H3,(H,15,16)
InChIKeySITCOOAZQZNCSH-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.60
Rot. Bonds4

About N-(2,4-dimethylphenyl)-2-methylidenepentanamide

N-(2,4-dimethylphenyl)-2-methylidenepentanamide (PubChem CID 141225698) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-methylidenepentanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-methylidenepentanamide
PubChem CID141225698
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-(2,4-dimethylphenyl)-2-methylidenepentanamide
SMILESC=C(CCC)C(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C14H19NO/c1-5-6-11(3)14(16)15-13-8-7-10(2)9-12(13)4/h7-9H,3,5-6H2,1-2,4H3,(H,15,16)
InChIKeySITCOOAZQZNCSH-UHFFFAOYSA-N
XLogP3.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969
4-(2-butanoylhydrazinyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide
CID 5199281
N-[2-(2,4-dimethylanilino)-2-oxoethyl]butanamide
CID 47205616
N-(2-chloroethyl)-N'-(2,4-dimethylphenyl)oxamide
CID 108513846
N-(2,4-dimethylphenyl)-3-(propylamino)propanamide
CID 109011557
N'-(2,4-dimethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 7033220
N-(2,4-dimethylphenyl)carbamoyl fluoride
CID 88833294
3-amino-N-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 50944164
N-(2,4-dimethylphenyl)-4-methylpentanamide
CID 78775203
N'-(2,4-dimethylphenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 16799810
N,N'-bis(2,4-dimethylphenyl)-2-[(4-ethylphenyl)methylidene]propanediamide
CID 7972356
(2E)-2-benzylidene-N-(2,4-dimethylphenyl)butanamide
CID 101189502

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-methylidenepentanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-methylidenepentanamide (CID 141225698) is N-(2,4-dimethylphenyl)-2-methylidenepentanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-methylidenepentanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-methylidenepentanamide is C=C(CCC)C(=O)Nc1ccc(C)cc1C.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-methylidenepentanamide?
The InChIKey is SITCOOAZQZNCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-5-6-11(3)14(16)15-13-8-7-10(2)9-12(13)4/h7-9H,3,5-6H2,1-2,4H3,(H,15,16).
What are the key properties of N-(2,4-dimethylphenyl)-2-methylidenepentanamide?
N-(2,4-dimethylphenyl)-2-methylidenepentanamide has a molecular weight of 217.31 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-methylidenepentanamide is sourced from PubChem (CID 141225698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).