(E)-2-methyl-N-[2-methyl-3-(propanoylamino)phenyl]pent-2-enamide

C16H22N2O2 — CID 94151525

IUPAC(E)-2-methyl-N-[2-methyl-3-(propanoylamino)phenyl]pent-2-enamide
SMILESCC/C=C(\C)C(=O)Nc1cccc(NC(=O)CC)c1C
InChIInChI=1S/C16H22N2O2/c1-5-8-11(3)16(20)18-14-10-7-9-13(12(14)4)17-15(19)6-2/h7-10H,5-6H2,1-4H3,(H,17,19)(H,18,20)/b11-8+
InChIKeyGWCYEQVGXWDRGL-DHZHZOJOSA-N
MW274.36 g/mol
LogP3.64
Rot. Bonds5

About (E)-2-methyl-N-[2-methyl-3-(propanoylamino)phenyl]pent-2-enamide

(E)-2-methyl-N-[2-methyl-3-(propanoylamino)phenyl]pent-2-enamide (PubChem CID 94151525) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (E)-2-methyl-N-[2-methyl-3-(propanoylamino)phenyl]pent-2-enamide.

Molecular Properties

Compound Name(E)-2-methyl-N-[2-methyl-3-(propanoylamino)phenyl]pent-2-enamide
PubChem CID94151525
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(E)-2-methyl-N-[2-methyl-3-(propanoylamino)phenyl]pent-2-enamide
SMILESCC/C=C(\C)C(=O)Nc1cccc(NC(=O)CC)c1C
InChIInChI=1S/C16H22N2O2/c1-5-8-11(3)16(20)18-14-10-7-9-13(12(14)4)17-15(19)6-2/h7-10H,5-6H2,1-4H3,(H,17,19)(H,18,20)/b11-8+
InChIKeyGWCYEQVGXWDRGL-DHZHZOJOSA-N
XLogP3.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.64
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

2-methyl-N-[2-methyl-3-(propylsulfonylamino)phenyl]pent-2-enamide
CID 72685990
N-[2-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenyl]propanamide
CID 115949978
N-[3-(acetylcarbamothioylamino)-2-methylphenyl]propanamide
CID 46760838
N-[2-methyl-3-(propanoylamino)phenyl]benzamide
CID 38300041
N-[2-methyl-3-[(2-phenoxyacetyl)amino]phenyl]propanamide
CID 38300689
N-[2-methyl-3-(propanoylamino)phenyl]-3-phenylpropanamide
CID 38300101
3-chloro-2,2-dimethyl-N-[2-methyl-3-(propanoylamino)phenyl]propanamide
CID 63680386
N-[3-[[2-(dipropylamino)acetyl]amino]-2-methylphenyl]propanamide
CID 54818982
N-[3-[[2-(4-methoxyphenoxy)acetyl]amino]-2-methylphenyl]propanamide
CID 38300469
N-[3-(3-methoxybutan-2-ylamino)-2-methylphenyl]propanamide
CID 115916566
N-(2-acetamidophenyl)propanamide
CID 885895
N-[3-[[2-(2-chloroanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54810419

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-N-[2-methyl-3-(propanoylamino)phenyl]pent-2-enamide?
The IUPAC name of (E)-2-methyl-N-[2-methyl-3-(propanoylamino)phenyl]pent-2-enamide (CID 94151525) is (E)-2-methyl-N-[2-methyl-3-(propanoylamino)phenyl]pent-2-enamide.
What is the SMILES notation for (E)-2-methyl-N-[2-methyl-3-(propanoylamino)phenyl]pent-2-enamide?
The canonical SMILES for (E)-2-methyl-N-[2-methyl-3-(propanoylamino)phenyl]pent-2-enamide is CC/C=C(\C)C(=O)Nc1cccc(NC(=O)CC)c1C.
What is the InChIKey of (E)-2-methyl-N-[2-methyl-3-(propanoylamino)phenyl]pent-2-enamide?
The InChIKey is GWCYEQVGXWDRGL-DHZHZOJOSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-5-8-11(3)16(20)18-14-10-7-9-13(12(14)4)17-15(19)6-2/h7-10H,5-6H2,1-4H3,(H,17,19)(H,18,20)/b11-8+.
What are the key properties of (E)-2-methyl-N-[2-methyl-3-(propanoylamino)phenyl]pent-2-enamide?
(E)-2-methyl-N-[2-methyl-3-(propanoylamino)phenyl]pent-2-enamide has a molecular weight of 274.36 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-N-[2-methyl-3-(propanoylamino)phenyl]pent-2-enamide is sourced from PubChem (CID 94151525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).