3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)benzamide

C27H36N2O5 — CID 10073347

IUPAC3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCOc1cc(C(=O)N(CCCN2CCOCC2)C/C(C)=C/c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C27H36N2O5/c1-21(17-22-9-6-5-7-10-22)20-29(12-8-11-28-13-15-34-16-14-28)27(30)23-18-24(31-2)26(33-4)25(19-23)32-3/h5-7,9-10,17-19H,8,11-16,20H2,1-4H3/b21-17+
InChIKeyPHFUSOBGWZEVDC-HEHNFIMWSA-N
MW468.59 g/mol
LogP3.98
Rot. Bonds11

About 3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)benzamide

3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 10073347) has the molecular formula C27H36N2O5 and a molecular weight of 468.59 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID10073347
Molecular FormulaC27H36N2O5
Molecular Weight468.59 g/mol
Exact Mass468.26
IUPAC Name3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCOc1cc(C(=O)N(CCCN2CCOCC2)C/C(C)=C/c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C27H36N2O5/c1-21(17-22-9-6-5-7-10-22)20-29(12-8-11-28-13-15-34-16-14-28)27(30)23-18-24(31-2)26(33-4)25(19-23)32-3/h5-7,9-10,17-19H,8,11-16,20H2,1-4H3/b21-17+
InChIKeyPHFUSOBGWZEVDC-HEHNFIMWSA-N
XLogP3.98
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.59
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)benzamide (CID 10073347) is 3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)benzamide is COc1cc(C(=O)N(CCCN2CCOCC2)C/C(C)=C/c2ccccc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is PHFUSOBGWZEVDC-HEHNFIMWSA-N. The full InChI is InChI=1S/C27H36N2O5/c1-21(17-22-9-6-5-7-10-22)20-29(12-8-11-28-13-15-34-16-14-28)27(30)23-18-24(31-2)26(33-4)25(19-23)32-3/h5-7,9-10,17-19H,8,11-16,20H2,1-4H3/b21-17+.
What are the key properties of 3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)benzamide?
3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 468.59 g/mol, XLogP of 3.98, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 10073347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).