N-methoxy-3-(4-methoxy-3-phenylmethoxyphenyl)-N,2-dimethylprop-2-enamide

C20H23NO4 — CID 73443908

IUPACN-methoxy-3-(4-methoxy-3-phenylmethoxyphenyl)-N,2-dimethylprop-2-enamide
SMILESCOc1ccc(C=C(C)C(=O)N(C)OC)cc1OCc1ccccc1
InChIInChI=1S/C20H23NO4/c1-15(20(22)21(2)24-4)12-17-10-11-18(23-3)19(13-17)25-14-16-8-6-5-7-9-16/h5-13H,14H2,1-4H3
InChIKeySEOLPDOKFQHGKU-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.70
Rot. Bonds7

About N-methoxy-3-(4-methoxy-3-phenylmethoxyphenyl)-N,2-dimethylprop-2-enamide

N-methoxy-3-(4-methoxy-3-phenylmethoxyphenyl)-N,2-dimethylprop-2-enamide (PubChem CID 73443908) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-methoxy-3-(4-methoxy-3-phenylmethoxyphenyl)-N,2-dimethylprop-2-enamide.

Molecular Properties

Compound NameN-methoxy-3-(4-methoxy-3-phenylmethoxyphenyl)-N,2-dimethylprop-2-enamide
PubChem CID73443908
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC NameN-methoxy-3-(4-methoxy-3-phenylmethoxyphenyl)-N,2-dimethylprop-2-enamide
SMILESCOc1ccc(C=C(C)C(=O)N(C)OC)cc1OCc1ccccc1
InChIInChI=1S/C20H23NO4/c1-15(20(22)21(2)24-4)12-17-10-11-18(23-3)19(13-17)25-14-16-8-6-5-7-9-16/h5-13H,14H2,1-4H3
InChIKeySEOLPDOKFQHGKU-UHFFFAOYSA-N
XLogP3.70
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbut-3-en-2-one
CID 22246671
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
(Z)-2-cyano-3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enoic acid
CID 27422712
S-[3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enyl] ethanethioate
CID 169458371
3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enehydrazide
CID 131849552
2-[[(E)-3-(3-methoxy-4-phenylmethoxyphenyl)-2-methylprop-2-enoyl]amino]benzoic acid
CID 71299863
(E)-1-(2-hydroxyphenyl)-3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-en-1-one
CID 12681944
2,3-bis[(3-methoxy-4-phenylmethoxyphenyl)methylidene]butanedial
CID 85426297
propan-2-yl (E)-2-cyano-3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enoate
CID 6041113
1-methoxy-3-[(E)-2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-5-phenylmethoxybenzene
CID 141466658
2-[4-[(E)-2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]ethanamine
CID 23757866
(E)-1-[2,4-dimethoxy-3,6-bis(phenylmethoxy)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 10816288

Frequently Asked Questions

What is the IUPAC name of N-methoxy-3-(4-methoxy-3-phenylmethoxyphenyl)-N,2-dimethylprop-2-enamide?
The IUPAC name of N-methoxy-3-(4-methoxy-3-phenylmethoxyphenyl)-N,2-dimethylprop-2-enamide (CID 73443908) is N-methoxy-3-(4-methoxy-3-phenylmethoxyphenyl)-N,2-dimethylprop-2-enamide.
What is the SMILES notation for N-methoxy-3-(4-methoxy-3-phenylmethoxyphenyl)-N,2-dimethylprop-2-enamide?
The canonical SMILES for N-methoxy-3-(4-methoxy-3-phenylmethoxyphenyl)-N,2-dimethylprop-2-enamide is COc1ccc(C=C(C)C(=O)N(C)OC)cc1OCc1ccccc1.
What is the InChIKey of N-methoxy-3-(4-methoxy-3-phenylmethoxyphenyl)-N,2-dimethylprop-2-enamide?
The InChIKey is SEOLPDOKFQHGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-15(20(22)21(2)24-4)12-17-10-11-18(23-3)19(13-17)25-14-16-8-6-5-7-9-16/h5-13H,14H2,1-4H3.
What are the key properties of N-methoxy-3-(4-methoxy-3-phenylmethoxyphenyl)-N,2-dimethylprop-2-enamide?
N-methoxy-3-(4-methoxy-3-phenylmethoxyphenyl)-N,2-dimethylprop-2-enamide has a molecular weight of 341.41 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-3-(4-methoxy-3-phenylmethoxyphenyl)-N,2-dimethylprop-2-enamide is sourced from PubChem (CID 73443908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).