(E)-3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide

C16H21NO4 — CID 5350201

IUPAC(E)-3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
SMILESCOc1ccc(OC)c(/C=C/C(=O)NCC2CCCO2)c1
InChIInChI=1S/C16H21NO4/c1-19-13-6-7-15(20-2)12(10-13)5-8-16(18)17-11-14-4-3-9-21-14/h5-8,10,14H,3-4,9,11H2,1-2H3,(H,17,18)/b8-5+
InChIKeyUEESXKNBZADVGW-VMPITWQZSA-N
MW291.35 g/mol
LogP2.01
Rot. Bonds6

About (E)-3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide

(E)-3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide (PubChem CID 5350201) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is (E)-3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
PubChem CID5350201
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name(E)-3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
SMILESCOc1ccc(OC)c(/C=C/C(=O)NCC2CCCO2)c1
InChIInChI=1S/C16H21NO4/c1-19-13-6-7-15(20-2)12(10-13)5-8-16(18)17-11-14-4-3-9-21-14/h5-8,10,14H,3-4,9,11H2,1-2H3,(H,17,18)/b8-5+
InChIKeyUEESXKNBZADVGW-VMPITWQZSA-N
XLogP2.01
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 10421149
N-(3-(2-hydroxy-5-methoxyphenyl)propyl)acetamide
CID 46885230
N-(3-(2,5-dimethoxyphenyl)propyl)acetamide
CID 46885283
N-(3-(2-ethoxy-5-methoxyphenyl)propyl)acetamide
CID 46885284
N-(3-(5-methoxy-2-propoxyphenyl)propyl)acetamide
CID 46885285
N-[3-[5-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]propyl]propanamide
CID 46865422
N-(3-(5-methoxy-2-(3-methoxybenzyloxy)phenyl)propyl)acetamide
CID 46884553
N-(3-(2-(benzyloxy)-5-methoxyphenyl)propyl)acetamide
CID 46885226
N-(3-(2-(benzyloxy)-5-methoxyphenyl)propyl)propionamide
CID 46885227
N-(3-(2-(benzyloxy)-5-methoxyphenyl)propyl)butyramide
CID 46885228
[2-Oxo-2-(oxolan-2-ylmethylamino)ethyl] 3-methoxybenzoate
CID 4188919
(2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 7654011

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide (CID 5350201) is (E)-3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide is COc1ccc(OC)c(/C=C/C(=O)NCC2CCCO2)c1.
What is the InChIKey of (E)-3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide?
The InChIKey is UEESXKNBZADVGW-VMPITWQZSA-N. The full InChI is InChI=1S/C16H21NO4/c1-19-13-6-7-15(20-2)12(10-13)5-8-16(18)17-11-14-4-3-9-21-14/h5-8,10,14H,3-4,9,11H2,1-2H3,(H,17,18)/b8-5+.
What are the key properties of (E)-3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide?
(E)-3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide has a molecular weight of 291.35 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 5350201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).