N'-(2-methylphenyl)-N-prop-2-enylbutanediamide

C14H18N2O2 — CID 571935

IUPACN'-(2-methylphenyl)-N-prop-2-enylbutanediamide
SMILESC=CCNC(=O)CCC(=O)Nc1ccccc1C
InChIInChI=1S/C14H18N2O2/c1-3-10-15-13(17)8-9-14(18)16-12-7-5-4-6-11(12)2/h3-7H,1,8-10H2,2H3,(H,15,17)(H,16,18)
InChIKeyBNOODPHALOTGTD-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.02
Rot. Bonds6

About N'-(2-methylphenyl)-N-prop-2-enylbutanediamide

N'-(2-methylphenyl)-N-prop-2-enylbutanediamide (PubChem CID 571935) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N'-(2-methylphenyl)-N-prop-2-enylbutanediamide.

Molecular Properties

Compound NameN'-(2-methylphenyl)-N-prop-2-enylbutanediamide
PubChem CID571935
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN'-(2-methylphenyl)-N-prop-2-enylbutanediamide
SMILESC=CCNC(=O)CCC(=O)Nc1ccccc1C
InChIInChI=1S/C14H18N2O2/c1-3-10-15-13(17)8-9-14(18)16-12-7-5-4-6-11(12)2/h3-7H,1,8-10H2,2H3,(H,15,17)(H,16,18)
InChIKeyBNOODPHALOTGTD-UHFFFAOYSA-N
XLogP2.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(2-methylanilino)-4-oxobutanoyl]amino]acetic acid
CID 82042572
N-[2-(hydroxyamino)-2-oxoethyl]-N'-(2-methylphenyl)butanediamide
CID 86581901
2-methyl-N-[3-oxo-3-(prop-2-enylamino)propyl]benzamide
CID 9076728
3-(dimethylamino)-N-(2-methylphenyl)propanamide
CID 89469008
1-N'-(2-methylphenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970867
4-oxo-4-[2-(prop-2-enylcarbamoyl)anilino]butanoic acid
CID 4932263
2-(butanoylamino)-N-prop-2-enylbenzamide
CID 4932304
4-(methylamino)-N-(2-methylphenyl)butanamide;hydrochloride
CID 119670453
11-bromo-N-(2-methylphenyl)undecanamide
CID 51058287
N-(2-methylphenyl)-4-oxo-4-(4-phenylphenyl)butanamide
CID 5003132
5-N-(2-methylphenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101805
4-hydroxy-N-(2-methylphenyl)pentanamide
CID 79017195

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylphenyl)-N-prop-2-enylbutanediamide?
The IUPAC name of N'-(2-methylphenyl)-N-prop-2-enylbutanediamide (CID 571935) is N'-(2-methylphenyl)-N-prop-2-enylbutanediamide.
What is the SMILES notation for N'-(2-methylphenyl)-N-prop-2-enylbutanediamide?
The canonical SMILES for N'-(2-methylphenyl)-N-prop-2-enylbutanediamide is C=CCNC(=O)CCC(=O)Nc1ccccc1C.
What is the InChIKey of N'-(2-methylphenyl)-N-prop-2-enylbutanediamide?
The InChIKey is BNOODPHALOTGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-10-15-13(17)8-9-14(18)16-12-7-5-4-6-11(12)2/h3-7H,1,8-10H2,2H3,(H,15,17)(H,16,18).
What are the key properties of N'-(2-methylphenyl)-N-prop-2-enylbutanediamide?
N'-(2-methylphenyl)-N-prop-2-enylbutanediamide has a molecular weight of 246.31 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylphenyl)-N-prop-2-enylbutanediamide is sourced from PubChem (CID 571935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).