N-(2-methylphenyl)-3-(2-pentanoylhydrazinyl)but-3-enamide

C16H23N3O2 — CID 4572466

IUPACN-(2-methylphenyl)-3-(2-pentanoylhydrazinyl)but-3-enamide
SMILESC=C(CC(=O)Nc1ccccc1C)NNC(=O)CCCC
InChIInChI=1S/C16H23N3O2/c1-4-5-10-15(20)19-18-13(3)11-16(21)17-14-9-7-6-8-12(14)2/h6-9,18H,3-5,10-11H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyRTCHDKYMPSVVIF-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.65
Rot. Bonds8

About N-(2-methylphenyl)-3-(2-pentanoylhydrazinyl)but-3-enamide

N-(2-methylphenyl)-3-(2-pentanoylhydrazinyl)but-3-enamide (PubChem CID 4572466) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(2-methylphenyl)-3-(2-pentanoylhydrazinyl)but-3-enamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-3-(2-pentanoylhydrazinyl)but-3-enamide
PubChem CID4572466
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(2-methylphenyl)-3-(2-pentanoylhydrazinyl)but-3-enamide
SMILESC=C(CC(=O)Nc1ccccc1C)NNC(=O)CCCC
InChIInChI=1S/C16H23N3O2/c1-4-5-10-15(20)19-18-13(3)11-16(21)17-14-9-7-6-8-12(14)2/h6-9,18H,3-5,10-11H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyRTCHDKYMPSVVIF-UHFFFAOYSA-N
XLogP2.65
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylphenyl)-3-oxododecanamide
CID 25129600
N-(2-methylphenyl)-3-[2-(pyridine-4-carbonyl)hydrazinyl]but-3-enamide
CID 2225990
N'-(2-methylphenyl)heptanehydrazide
CID 11955771
N-(2-methylphenyl)-3-(pentylamino)propanamide
CID 109032228
2-(butylamino)-N-(2-methylphenyl)acetamide;hydrochloride
CID 3026030
N-[4-methyl-2-[1-(2-methylphenyl)ethenyl]phenyl]pentanamide
CID 170792159
N-(2-methylphenyl)-3-oxobutanamide
CID 7154
[2-(pentanoylamino)phenyl] formate
CID 54559360
2-[[3-(2-heptadecanoylhydrazinyl)-3-oxopropanoyl]amino]benzoic acid
CID 25113731
4-(methylamino)-N-(2-methylphenyl)butanamide;hydrochloride
CID 119670453
11-bromo-N-(2-methylphenyl)undecanamide
CID 51058287
N-(2-methylphenyl)propanamide;molecular hydrogen
CID 143153627

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-3-(2-pentanoylhydrazinyl)but-3-enamide?
The IUPAC name of N-(2-methylphenyl)-3-(2-pentanoylhydrazinyl)but-3-enamide (CID 4572466) is N-(2-methylphenyl)-3-(2-pentanoylhydrazinyl)but-3-enamide.
What is the SMILES notation for N-(2-methylphenyl)-3-(2-pentanoylhydrazinyl)but-3-enamide?
The canonical SMILES for N-(2-methylphenyl)-3-(2-pentanoylhydrazinyl)but-3-enamide is C=C(CC(=O)Nc1ccccc1C)NNC(=O)CCCC.
What is the InChIKey of N-(2-methylphenyl)-3-(2-pentanoylhydrazinyl)but-3-enamide?
The InChIKey is RTCHDKYMPSVVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-5-10-15(20)19-18-13(3)11-16(21)17-14-9-7-6-8-12(14)2/h6-9,18H,3-5,10-11H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of N-(2-methylphenyl)-3-(2-pentanoylhydrazinyl)but-3-enamide?
N-(2-methylphenyl)-3-(2-pentanoylhydrazinyl)but-3-enamide has a molecular weight of 289.38 g/mol, XLogP of 2.65, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-3-(2-pentanoylhydrazinyl)but-3-enamide is sourced from PubChem (CID 4572466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).