3,4-dimethoxy-N-(2-morpholin-4-yl-1-phenylethyl)-5-prop-2-enylbenzamide

C24H30N2O4 — CID 18166790

IUPAC3,4-dimethoxy-N-(2-morpholin-4-yl-1-phenylethyl)-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)NC(CN2CCOCC2)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C24H30N2O4/c1-4-8-19-15-20(16-22(28-2)23(19)29-3)24(27)25-21(18-9-6-5-7-10-18)17-26-11-13-30-14-12-26/h4-7,9-10,15-16,21H,1,8,11-14,17H2,2-3H3,(H,25,27)
InChIKeyRVHIIIPMLQEIKE-UHFFFAOYSA-N
MW410.51 g/mol
LogP3.24
Rot. Bonds9

About 3,4-dimethoxy-N-(2-morpholin-4-yl-1-phenylethyl)-5-prop-2-enylbenzamide

3,4-dimethoxy-N-(2-morpholin-4-yl-1-phenylethyl)-5-prop-2-enylbenzamide (PubChem CID 18166790) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(2-morpholin-4-yl-1-phenylethyl)-5-prop-2-enylbenzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(2-morpholin-4-yl-1-phenylethyl)-5-prop-2-enylbenzamide
PubChem CID18166790
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name3,4-dimethoxy-N-(2-morpholin-4-yl-1-phenylethyl)-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)NC(CN2CCOCC2)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C24H30N2O4/c1-4-8-19-15-20(16-22(28-2)23(19)29-3)24(27)25-21(18-9-6-5-7-10-18)17-26-11-13-30-14-12-26/h4-7,9-10,15-16,21H,1,8,11-14,17H2,2-3H3,(H,25,27)
InChIKeyRVHIIIPMLQEIKE-UHFFFAOYSA-N
XLogP3.24
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-3,5-dimethoxy-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 25485450
3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 25485403
2-(2-methoxyphenoxy)-N-(2-morpholin-4-yl-1-phenylethyl)acetamide
CID 18103834
3-ethoxy-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 39835171
3,4-dimethoxy-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-5-prop-2-enylbenzamide
CID 60615408
3,4-dimethoxy-N-(3-methylbutan-2-yl)-5-prop-2-enylbenzamide
CID 43035063
4-acetamido-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 18166742
4-methylsulfanyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 9149987
3,4-dimethoxy-N-(5-morpholin-4-yl-2-pyridinyl)-5-prop-2-enylbenzamide
CID 18207509
2-(3-methoxyphenyl)-N-(2-morpholin-4-yl-1-phenylethyl)acetamide
CID 18166755
[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
2,3-dihydro-1,4-benzoxazin-4-yl-(3,4-dimethoxy-5-prop-2-enylphenyl)methanone
CID 43062738

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(2-morpholin-4-yl-1-phenylethyl)-5-prop-2-enylbenzamide?
The IUPAC name of 3,4-dimethoxy-N-(2-morpholin-4-yl-1-phenylethyl)-5-prop-2-enylbenzamide (CID 18166790) is 3,4-dimethoxy-N-(2-morpholin-4-yl-1-phenylethyl)-5-prop-2-enylbenzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(2-morpholin-4-yl-1-phenylethyl)-5-prop-2-enylbenzamide?
The canonical SMILES for 3,4-dimethoxy-N-(2-morpholin-4-yl-1-phenylethyl)-5-prop-2-enylbenzamide is C=CCc1cc(C(=O)NC(CN2CCOCC2)c2ccccc2)cc(OC)c1OC.
What is the InChIKey of 3,4-dimethoxy-N-(2-morpholin-4-yl-1-phenylethyl)-5-prop-2-enylbenzamide?
The InChIKey is RVHIIIPMLQEIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-4-8-19-15-20(16-22(28-2)23(19)29-3)24(27)25-21(18-9-6-5-7-10-18)17-26-11-13-30-14-12-26/h4-7,9-10,15-16,21H,1,8,11-14,17H2,2-3H3,(H,25,27).
What are the key properties of 3,4-dimethoxy-N-(2-morpholin-4-yl-1-phenylethyl)-5-prop-2-enylbenzamide?
3,4-dimethoxy-N-(2-morpholin-4-yl-1-phenylethyl)-5-prop-2-enylbenzamide has a molecular weight of 410.51 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(2-morpholin-4-yl-1-phenylethyl)-5-prop-2-enylbenzamide is sourced from PubChem (CID 18166790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).