N-methyl-2-[4-[3-(methylamino)-3-oxoprop-1-en-2-yl]phenyl]prop-2-enamide

C14H16N2O2 — CID 70360767

IUPACN-methyl-2-[4-[3-(methylamino)-3-oxoprop-1-en-2-yl]phenyl]prop-2-enamide
SMILESC=C(C(=O)NC)c1ccc(C(=C)C(=O)NC)cc1
InChIInChI=1S/C14H16N2O2/c1-9(13(17)15-3)11-5-7-12(8-6-11)10(2)14(18)16-4/h5-8H,1-2H2,3-4H3,(H,15,17)(H,16,18)
InChIKeyONQQNQFVBFRTRF-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.21
Rot. Bonds4

About N-methyl-2-[4-[3-(methylamino)-3-oxoprop-1-en-2-yl]phenyl]prop-2-enamide

N-methyl-2-[4-[3-(methylamino)-3-oxoprop-1-en-2-yl]phenyl]prop-2-enamide (PubChem CID 70360767) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-methyl-2-[4-[3-(methylamino)-3-oxoprop-1-en-2-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-methyl-2-[4-[3-(methylamino)-3-oxoprop-1-en-2-yl]phenyl]prop-2-enamide
PubChem CID70360767
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-methyl-2-[4-[3-(methylamino)-3-oxoprop-1-en-2-yl]phenyl]prop-2-enamide
SMILESC=C(C(=O)NC)c1ccc(C(=C)C(=O)NC)cc1
InChIInChI=1S/C14H16N2O2/c1-9(13(17)15-3)11-5-7-12(8-6-11)10(2)14(18)16-4/h5-8H,1-2H2,3-4H3,(H,15,17)(H,16,18)
InChIKeyONQQNQFVBFRTRF-UHFFFAOYSA-N
XLogP1.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.21
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

CID 89169196
CID 89169196
N-methoxy-2-(4-methylphenyl)prop-2-enamide
CID 166438497
4-(4-hydroxy-2-methylidenebutanoyl)-N-methylbenzamide
CID 59489527
4-[1-(methylamino)ethenyl]-N-[[[4-[1-(methylamino)ethenyl]benzoyl]amino]methyl]benzamide
CID 59841901
2-phenyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide
CID 58159202
N,N'-di((113C)methyl)oxamide
CID 169438737
2-(4-fluoro-3-methylphenyl)-N-methyl-2-oxoacetamide
CID 82112119
(E)-N-methyl-2,3-diphenylbut-2-enamide
CID 142095500
3-(4-sulfanylphenyl)but-3-en-2-one
CID 143392805
2-(fluoromethyl)-N-methylprop-2-enamide
CID 90023989
3-hydroxy-N-methyl-2-oxopropanamide
CID 88958947
N,2-dimethylprop-2-enamide;ethane
CID 142291054

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[3-(methylamino)-3-oxoprop-1-en-2-yl]phenyl]prop-2-enamide?
The IUPAC name of N-methyl-2-[4-[3-(methylamino)-3-oxoprop-1-en-2-yl]phenyl]prop-2-enamide (CID 70360767) is N-methyl-2-[4-[3-(methylamino)-3-oxoprop-1-en-2-yl]phenyl]prop-2-enamide.
What is the SMILES notation for N-methyl-2-[4-[3-(methylamino)-3-oxoprop-1-en-2-yl]phenyl]prop-2-enamide?
The canonical SMILES for N-methyl-2-[4-[3-(methylamino)-3-oxoprop-1-en-2-yl]phenyl]prop-2-enamide is C=C(C(=O)NC)c1ccc(C(=C)C(=O)NC)cc1.
What is the InChIKey of N-methyl-2-[4-[3-(methylamino)-3-oxoprop-1-en-2-yl]phenyl]prop-2-enamide?
The InChIKey is ONQQNQFVBFRTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9(13(17)15-3)11-5-7-12(8-6-11)10(2)14(18)16-4/h5-8H,1-2H2,3-4H3,(H,15,17)(H,16,18).
What are the key properties of N-methyl-2-[4-[3-(methylamino)-3-oxoprop-1-en-2-yl]phenyl]prop-2-enamide?
N-methyl-2-[4-[3-(methylamino)-3-oxoprop-1-en-2-yl]phenyl]prop-2-enamide has a molecular weight of 244.29 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[3-(methylamino)-3-oxoprop-1-en-2-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 70360767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).