N-[[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]methyl]prop-2-enamide

C15H19NO3 — CID 11118840

IUPACN-[[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1cc(C)c(OCC2CO2)c(C)c1
InChIInChI=1S/C15H19NO3/c1-4-14(17)16-7-12-5-10(2)15(11(3)6-12)19-9-13-8-18-13/h4-6,13H,1,7-9H2,2-3H3,(H,16,17)
InChIKeyOHBCEHHJPNBVME-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.88
Rot. Bonds6

About N-[[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]methyl]prop-2-enamide

N-[[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]methyl]prop-2-enamide (PubChem CID 11118840) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]methyl]prop-2-enamide
PubChem CID11118840
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-[[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1cc(C)c(OCC2CO2)c(C)c1
InChIInChI=1S/C15H19NO3/c1-4-14(17)16-7-12-5-10(2)15(11(3)6-12)19-9-13-8-18-13/h4-6,13H,1,7-9H2,2-3H3,(H,16,17)
InChIKeyOHBCEHHJPNBVME-UHFFFAOYSA-N
XLogP1.88
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]methyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,4-dimethylphenoxy)-N-(oxolan-2-ylmethyl)acetamide
CID 2789933
N-(4-butoxybenzyl)formamide
CID 137313
N-{[4-(Pentyloxy)phenyl]methyl}formamide
CID 44371284
N-((4-methoxyphenyl)methyl)prop-2-enamide
CID 11344514
N-benzyl-3-(4-propoxyphenyl)acrylamide
CID 1568637
(E)-3-[4-(3-fluoropropoxy)phenyl]-N-(4-methoxybenzyl)-2-propenamide
CID 6270538
N-{[4-(Propan-2-yloxy)phenyl]methyl}-2H-chromene-3-carboxamide
CID 16029381
4-ethoxy-3-methyl-N-(5-methylhexan-3-yl)benzamide
CID 57527807
4-ethoxy-3-methyl-N-(2-methylheptan-4-yl)benzamide
CID 57527951
4-ethoxy-3-methyl-N-pentan-3-ylbenzamide
CID 57527970
N-benzyl-3-(4-ethoxyphenyl)acrylamide
CID 797491
3-(2,6-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]propan-1-amine
CID 122574263

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]methyl]prop-2-enamide?
The IUPAC name of N-[[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]methyl]prop-2-enamide (CID 11118840) is N-[[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]methyl]prop-2-enamide?
The canonical SMILES for N-[[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]methyl]prop-2-enamide is C=CC(=O)NCc1cc(C)c(OCC2CO2)c(C)c1.
What is the InChIKey of N-[[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]methyl]prop-2-enamide?
The InChIKey is OHBCEHHJPNBVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-4-14(17)16-7-12-5-10(2)15(11(3)6-12)19-9-13-8-18-13/h4-6,13H,1,7-9H2,2-3H3,(H,16,17).
What are the key properties of N-[[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]methyl]prop-2-enamide?
N-[[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]methyl]prop-2-enamide has a molecular weight of 261.32 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 11118840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).