N-[3-(cyclopropylmethoxy)-5-[hydroxy(phenyl)methyl]phenyl]-N-methylprop-2-enamide

C21H23NO3 — CID 118548286

IUPACN-[3-(cyclopropylmethoxy)-5-[hydroxy(phenyl)methyl]phenyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)c1cc(OCC2CC2)cc(C(O)c2ccccc2)c1
InChIInChI=1S/C21H23NO3/c1-3-20(23)22(2)18-11-17(21(24)16-7-5-4-6-8-16)12-19(13-18)25-14-15-9-10-15/h3-8,11-13,15,21,24H,1,9-10,14H2,2H3
InChIKeyUYIDVHZUOAMLLF-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.71
Rot. Bonds7

About N-[3-(cyclopropylmethoxy)-5-[hydroxy(phenyl)methyl]phenyl]-N-methylprop-2-enamide

N-[3-(cyclopropylmethoxy)-5-[hydroxy(phenyl)methyl]phenyl]-N-methylprop-2-enamide (PubChem CID 118548286) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)-5-[hydroxy(phenyl)methyl]phenyl]-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)-5-[hydroxy(phenyl)methyl]phenyl]-N-methylprop-2-enamide
PubChem CID118548286
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC NameN-[3-(cyclopropylmethoxy)-5-[hydroxy(phenyl)methyl]phenyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)c1cc(OCC2CC2)cc(C(O)c2ccccc2)c1
InChIInChI=1S/C21H23NO3/c1-3-20(23)22(2)18-11-17(21(24)16-7-5-4-6-8-16)12-19(13-18)25-14-15-9-10-15/h3-8,11-13,15,21,24H,1,9-10,14H2,2H3
InChIKeyUYIDVHZUOAMLLF-UHFFFAOYSA-N
XLogP3.71
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(cyclopropylmethoxy)-5-[hydroxy(phenyl)methyl]phenyl]-N-methylprop-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

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)-5-[hydroxy(phenyl)methyl]phenyl]-N-methylprop-2-enamide?
The IUPAC name of N-[3-(cyclopropylmethoxy)-5-[hydroxy(phenyl)methyl]phenyl]-N-methylprop-2-enamide (CID 118548286) is N-[3-(cyclopropylmethoxy)-5-[hydroxy(phenyl)methyl]phenyl]-N-methylprop-2-enamide.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)-5-[hydroxy(phenyl)methyl]phenyl]-N-methylprop-2-enamide?
The canonical SMILES for N-[3-(cyclopropylmethoxy)-5-[hydroxy(phenyl)methyl]phenyl]-N-methylprop-2-enamide is C=CC(=O)N(C)c1cc(OCC2CC2)cc(C(O)c2ccccc2)c1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)-5-[hydroxy(phenyl)methyl]phenyl]-N-methylprop-2-enamide?
The InChIKey is UYIDVHZUOAMLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-3-20(23)22(2)18-11-17(21(24)16-7-5-4-6-8-16)12-19(13-18)25-14-15-9-10-15/h3-8,11-13,15,21,24H,1,9-10,14H2,2H3.
What are the key properties of N-[3-(cyclopropylmethoxy)-5-[hydroxy(phenyl)methyl]phenyl]-N-methylprop-2-enamide?
N-[3-(cyclopropylmethoxy)-5-[hydroxy(phenyl)methyl]phenyl]-N-methylprop-2-enamide has a molecular weight of 337.42 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)-5-[hydroxy(phenyl)methyl]phenyl]-N-methylprop-2-enamide is sourced from PubChem (CID 118548286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).