2-methyl-N-[3-(2-methylprop-2-enoylamino)phenyl]propanamide

C14H18N2O2 — CID 102248474

IUPAC2-methyl-N-[3-(2-methylprop-2-enoylamino)phenyl]propanamide
SMILESC=C(C)C(=O)Nc1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C14H18N2O2/c1-9(2)13(17)15-11-6-5-7-12(8-11)16-14(18)10(3)4/h5-8,10H,1H2,2-4H3,(H,15,17)(H,16,18)
InChIKeyVXLHOHJKMSUFHR-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.80
Rot. Bonds4

About 2-methyl-N-[3-(2-methylprop-2-enoylamino)phenyl]propanamide

2-methyl-N-[3-(2-methylprop-2-enoylamino)phenyl]propanamide (PubChem CID 102248474) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-methyl-N-[3-(2-methylprop-2-enoylamino)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-(2-methylprop-2-enoylamino)phenyl]propanamide
PubChem CID102248474
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-methyl-N-[3-(2-methylprop-2-enoylamino)phenyl]propanamide
SMILESC=C(C)C(=O)Nc1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C14H18N2O2/c1-9(2)13(17)15-11-6-5-7-12(8-11)16-14(18)10(3)4/h5-8,10H,1H2,2-4H3,(H,15,17)(H,16,18)
InChIKeyVXLHOHJKMSUFHR-UHFFFAOYSA-N
XLogP2.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-anilinophenyl)-2-methylprop-2-enamide
CID 67511613
N-[3-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43699994
N-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]-2-methylpropanamide;hydrochloride
CID 119281775
[3-(2-methylprop-2-enoylamino)phenyl]azanium
CID 140585857
2-ethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 21430939
ethane;2-methyl-N-(3-methylphenyl)propanamide
CID 163229096
N-[3-(tert-butylcarbamoylamino)phenyl]-2-methylpropanamide
CID 78894521
N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 17189167
N,N'-bis[3-(2-methylpropanoylamino)phenyl]decanediamide
CID 17189285
3,3-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 39130919
2-methyl-N-[3-(3-methylbutylamino)phenyl]propanamide
CID 43725728
N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-methylprop-2-enamide
CID 108746164

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(2-methylprop-2-enoylamino)phenyl]propanamide?
The IUPAC name of 2-methyl-N-[3-(2-methylprop-2-enoylamino)phenyl]propanamide (CID 102248474) is 2-methyl-N-[3-(2-methylprop-2-enoylamino)phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-(2-methylprop-2-enoylamino)phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-(2-methylprop-2-enoylamino)phenyl]propanamide is C=C(C)C(=O)Nc1cccc(NC(=O)C(C)C)c1.
What is the InChIKey of 2-methyl-N-[3-(2-methylprop-2-enoylamino)phenyl]propanamide?
The InChIKey is VXLHOHJKMSUFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9(2)13(17)15-11-6-5-7-12(8-11)16-14(18)10(3)4/h5-8,10H,1H2,2-4H3,(H,15,17)(H,16,18).
What are the key properties of 2-methyl-N-[3-(2-methylprop-2-enoylamino)phenyl]propanamide?
2-methyl-N-[3-(2-methylprop-2-enoylamino)phenyl]propanamide has a molecular weight of 246.31 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(2-methylprop-2-enoylamino)phenyl]propanamide is sourced from PubChem (CID 102248474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).