3-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-N,N-dimethylprop-2-enamide

C16H21NO4 — CID 68712752

IUPAC3-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-N,N-dimethylprop-2-enamide
SMILESCOc1ccc(C=CC(=O)N(C)C)cc1OC1CCCO1
InChIInChI=1S/C16H21NO4/c1-17(2)15(18)9-7-12-6-8-13(19-3)14(11-12)21-16-5-4-10-20-16/h6-9,11,16H,4-5,10H2,1-3H3
InChIKeyXZBROCGKISKORB-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.31
Rot. Bonds5

About 3-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-N,N-dimethylprop-2-enamide

3-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-N,N-dimethylprop-2-enamide (PubChem CID 68712752) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-N,N-dimethylprop-2-enamide.

Molecular Properties

Compound Name3-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-N,N-dimethylprop-2-enamide
PubChem CID68712752
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name3-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-N,N-dimethylprop-2-enamide
SMILESCOc1ccc(C=CC(=O)N(C)C)cc1OC1CCCO1
InChIInChI=1S/C16H21NO4/c1-17(2)15(18)9-7-12-6-8-13(19-3)14(11-12)21-16-5-4-10-20-16/h6-9,11,16H,4-5,10H2,1-3H3
InChIKeyXZBROCGKISKORB-UHFFFAOYSA-N
XLogP2.31
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]oxane
CID 46182882
(E)-1-(2-hydroxy-4-methoxyphenyl)-3-[3-methoxy-4-(oxan-2-yloxy)phenyl]prop-2-en-1-one
CID 146223495
(E)-3-(3-amino-4-methoxyphenyl)-N,N-dimethylprop-2-enamide
CID 39244350
(E)-3-[3,4-bis(oxan-2-yloxy)phenyl]-1-[2,4,6-tris(oxan-2-yloxy)phenyl]prop-2-en-1-one
CID 56925805
(E)-3-(3,4-dimethoxyphenyl)-N-methoxy-N-methylprop-2-enamide
CID 22347490
ethyl (6E)-7-[3-methoxy-4-(oxan-2-yloxy)phenyl]-4-[(E)-3-[3-methoxy-4-(oxan-2-yloxy)phenyl]prop-2-enoyl]-5-oxohepta-3,6-dienoate
CID 123526731
1-[3,4-bis(oxan-2-yloxy)phenyl]ethanone
CID 121005777
3-[3,4-bis(oxan-2-yloxy)phenyl]prop-2-enyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
CID 54211473
3-(3,4-dimethoxyphenyl)-N-(oxolan-2-ylmethylcarbamothioyl)prop-2-enamide
CID 5231123
1,7-bis(3,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 53393977
3-(3-ethoxy-4-methoxyphenyl)-N-methoxy-N-methylprop-2-enamide
CID 102603194
[4-[7-(3,4-dimethoxyphenyl)-3,5-dioxohepta-1,6-dienyl]-2-methoxyphenyl] N,N-dimethylcarbamate
CID 123229969

Frequently Asked Questions

What is the IUPAC name of 3-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-N,N-dimethylprop-2-enamide?
The IUPAC name of 3-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-N,N-dimethylprop-2-enamide (CID 68712752) is 3-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-N,N-dimethylprop-2-enamide.
What is the SMILES notation for 3-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-N,N-dimethylprop-2-enamide?
The canonical SMILES for 3-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-N,N-dimethylprop-2-enamide is COc1ccc(C=CC(=O)N(C)C)cc1OC1CCCO1.
What is the InChIKey of 3-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-N,N-dimethylprop-2-enamide?
The InChIKey is XZBROCGKISKORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-17(2)15(18)9-7-12-6-8-13(19-3)14(11-12)21-16-5-4-10-20-16/h6-9,11,16H,4-5,10H2,1-3H3.
What are the key properties of 3-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-N,N-dimethylprop-2-enamide?
3-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-N,N-dimethylprop-2-enamide has a molecular weight of 291.35 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-N,N-dimethylprop-2-enamide is sourced from PubChem (CID 68712752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).