N-[4-methyl-2-[1-(2-methylphenyl)ethenyl]phenyl]pentanamide

C21H25NO — CID 170792159

IUPACN-[4-methyl-2-[1-(2-methylphenyl)ethenyl]phenyl]pentanamide
SMILESC=C(c1ccccc1C)c1cc(C)ccc1NC(=O)CCCC
InChIInChI=1S/C21H25NO/c1-5-6-11-21(23)22-20-13-12-15(2)14-19(20)17(4)18-10-8-7-9-16(18)3/h7-10,12-14H,4-6,11H2,1-3H3,(H,22,23)
InChIKeyFOAXJRBIWUMMDR-UHFFFAOYSA-N
MW307.44 g/mol
LogP5.49
Rot. Bonds6

About N-[4-methyl-2-[1-(2-methylphenyl)ethenyl]phenyl]pentanamide

N-[4-methyl-2-[1-(2-methylphenyl)ethenyl]phenyl]pentanamide (PubChem CID 170792159) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[4-methyl-2-[1-(2-methylphenyl)ethenyl]phenyl]pentanamide.

Molecular Properties

Compound NameN-[4-methyl-2-[1-(2-methylphenyl)ethenyl]phenyl]pentanamide
PubChem CID170792159
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC NameN-[4-methyl-2-[1-(2-methylphenyl)ethenyl]phenyl]pentanamide
SMILESC=C(c1ccccc1C)c1cc(C)ccc1NC(=O)CCCC
InChIInChI=1S/C21H25NO/c1-5-6-11-21(23)22-20-13-12-15(2)14-19(20)17(4)18-10-8-7-9-16(18)3/h7-10,12-14H,4-6,11H2,1-3H3,(H,22,23)
InChIKeyFOAXJRBIWUMMDR-UHFFFAOYSA-N
XLogP5.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.44
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(3-aminopropanoylamino)-4-methylphenyl]pentanamide
CID 82034599
N-(2-methylphenyl)-3-(2-pentanoylhydrazinyl)but-3-enamide
CID 4572466
6-(2-methoxycarbonyl-4-methylanilino)-6-oxohexanoic acid
CID 60942037
N-(2,5-dimethylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide
CID 54792025
5-methyl-2-[(2-methylbenzoyl)amino]benzoic acid
CID 21232994
4-(2-butanoylhydrazinyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide
CID 5199281
2-(hexacosanoylamino)benzoic acid
CID 123304158
methyl 4-methyl-3-(pentanoylamino)benzoate
CID 8920189
N-[(2,4-dimethylphenyl)carbamothioyl]heptanamide
CID 54789192
1-hex-1-en-2-yl-2-methylbenzene
CID 10535245
4-(2-methoxycarbonyl-4-methylanilino)-4-oxobutanoic acid
CID 54867962
N-[5-methyl-2-(pentanoylamino)phenyl]quinoxaline-5-carboxamide
CID 50959610

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-[1-(2-methylphenyl)ethenyl]phenyl]pentanamide?
The IUPAC name of N-[4-methyl-2-[1-(2-methylphenyl)ethenyl]phenyl]pentanamide (CID 170792159) is N-[4-methyl-2-[1-(2-methylphenyl)ethenyl]phenyl]pentanamide.
What is the SMILES notation for N-[4-methyl-2-[1-(2-methylphenyl)ethenyl]phenyl]pentanamide?
The canonical SMILES for N-[4-methyl-2-[1-(2-methylphenyl)ethenyl]phenyl]pentanamide is C=C(c1ccccc1C)c1cc(C)ccc1NC(=O)CCCC.
What is the InChIKey of N-[4-methyl-2-[1-(2-methylphenyl)ethenyl]phenyl]pentanamide?
The InChIKey is FOAXJRBIWUMMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-5-6-11-21(23)22-20-13-12-15(2)14-19(20)17(4)18-10-8-7-9-16(18)3/h7-10,12-14H,4-6,11H2,1-3H3,(H,22,23).
What are the key properties of N-[4-methyl-2-[1-(2-methylphenyl)ethenyl]phenyl]pentanamide?
N-[4-methyl-2-[1-(2-methylphenyl)ethenyl]phenyl]pentanamide has a molecular weight of 307.44 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2-[1-(2-methylphenyl)ethenyl]phenyl]pentanamide is sourced from PubChem (CID 170792159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).