3-(2,4-dimethoxyphenyl)-N-(oxan-2-ylmethyl)-N-propylprop-2-enamide

C20H29NO4 — CID 72688480

IUPAC3-(2,4-dimethoxyphenyl)-N-(oxan-2-ylmethyl)-N-propylprop-2-enamide
SMILESCCCN(CC1CCCCO1)C(=O)C=Cc1ccc(OC)cc1OC
InChIInChI=1S/C20H29NO4/c1-4-12-21(15-18-7-5-6-13-25-18)20(22)11-9-16-8-10-17(23-2)14-19(16)24-3/h8-11,14,18H,4-7,12-13,15H2,1-3H3
InChIKeyVDNCDFUSBLSIDN-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.52
Rot. Bonds8

About 3-(2,4-dimethoxyphenyl)-N-(oxan-2-ylmethyl)-N-propylprop-2-enamide

3-(2,4-dimethoxyphenyl)-N-(oxan-2-ylmethyl)-N-propylprop-2-enamide (PubChem CID 72688480) has the molecular formula C20H29NO4 and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-N-(oxan-2-ylmethyl)-N-propylprop-2-enamide.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-N-(oxan-2-ylmethyl)-N-propylprop-2-enamide
PubChem CID72688480
Molecular FormulaC20H29NO4
Molecular Weight347.46 g/mol
Exact Mass347.21
IUPAC Name3-(2,4-dimethoxyphenyl)-N-(oxan-2-ylmethyl)-N-propylprop-2-enamide
SMILESCCCN(CC1CCCCO1)C(=O)C=Cc1ccc(OC)cc1OC
InChIInChI=1S/C20H29NO4/c1-4-12-21(15-18-7-5-6-13-25-18)20(22)11-9-16-8-10-17(23-2)14-19(16)24-3/h8-11,14,18H,4-7,12-13,15H2,1-3H3
InChIKeyVDNCDFUSBLSIDN-UHFFFAOYSA-N
XLogP3.52
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.52
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

2,4-dimethoxy-N-(oxan-2-ylmethyl)-N-propylbenzamide
CID 56803297
(E)-N,N-bis(2-chloroethyl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 11012991
(E)-3-(2,5-dimethoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 9194332
3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide
CID 3352018
3-(1,3-benzodioxol-5-yl)-N-(oxan-2-ylmethyl)-N-propylprop-2-enamide
CID 72688493
3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide
CID 3352945
N-(2,4-dimethoxyphenyl)-3-[methyl(oxan-2-ylmethyl)amino]propanamide
CID 91842038
3-(2,4-dimethoxyphenyl)-1-methyl-1-[2-[(2R)-oxan-2-yl]ethyl]urea
CID 124523163
N-(2,4-dimethoxyphenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825214
N-(oxan-2-ylmethyl)-N-propyl-2H-benzotriazole-5-carboxamide
CID 86812984
3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide
CID 51090259
(E)-3-(3,5-dimethoxyphenyl)-N-[[4-(dimethylamino)phenyl]methyl]-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 55413085

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-N-(oxan-2-ylmethyl)-N-propylprop-2-enamide?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-N-(oxan-2-ylmethyl)-N-propylprop-2-enamide (CID 72688480) is 3-(2,4-dimethoxyphenyl)-N-(oxan-2-ylmethyl)-N-propylprop-2-enamide.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-N-(oxan-2-ylmethyl)-N-propylprop-2-enamide?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-N-(oxan-2-ylmethyl)-N-propylprop-2-enamide is CCCN(CC1CCCCO1)C(=O)C=Cc1ccc(OC)cc1OC.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-N-(oxan-2-ylmethyl)-N-propylprop-2-enamide?
The InChIKey is VDNCDFUSBLSIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4/c1-4-12-21(15-18-7-5-6-13-25-18)20(22)11-9-16-8-10-17(23-2)14-19(16)24-3/h8-11,14,18H,4-7,12-13,15H2,1-3H3.
What are the key properties of 3-(2,4-dimethoxyphenyl)-N-(oxan-2-ylmethyl)-N-propylprop-2-enamide?
3-(2,4-dimethoxyphenyl)-N-(oxan-2-ylmethyl)-N-propylprop-2-enamide has a molecular weight of 347.46 g/mol, XLogP of 3.52, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-N-(oxan-2-ylmethyl)-N-propylprop-2-enamide is sourced from PubChem (CID 72688480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).