3,4,5-trimethoxy-N-(1-phenylpropan-2-yl)benzamide

C19H23NO4 — CID 29032

IUPAC3,4,5-trimethoxy-N-(1-phenylpropan-2-yl)benzamide
SMILESCOc1cc(C(=O)NC(C)Cc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C19H23NO4/c1-13(10-14-8-6-5-7-9-14)20-19(21)15-11-16(22-2)18(24-4)17(12-15)23-3/h5-9,11-13H,10H2,1-4H3,(H,20,21)
InChIKeyIZVWGCYQLXQLMK-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.07
Rot. Bonds7

About 3,4,5-trimethoxy-N-(1-phenylpropan-2-yl)benzamide

3,4,5-trimethoxy-N-(1-phenylpropan-2-yl)benzamide (PubChem CID 29032) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(1-phenylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(1-phenylpropan-2-yl)benzamide
PubChem CID29032
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name3,4,5-trimethoxy-N-(1-phenylpropan-2-yl)benzamide
SMILESCOc1cc(C(=O)NC(C)Cc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C19H23NO4/c1-13(10-14-8-6-5-7-9-14)20-19(21)15-11-16(22-2)18(24-4)17(12-15)23-3/h5-9,11-13H,10H2,1-4H3,(H,20,21)
InChIKeyIZVWGCYQLXQLMK-UHFFFAOYSA-N
XLogP3.07
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Trimethobenzamide
CID 5577
Troxipide
CID 5597
Itopride
CID 3792
Trimetozine
CID 12478
Trimethobenzamide Hydrochloride
CID 68385
Itopride Hydrochloride
CID 129791
Opiranserin
CID 71566778
Trocimine
CID 26650
Capobenic Acid
CID 30627
N-(1-Propylbutyl)-1,3-benzodioxole-5-carboxamide
CID 22831877
3,4,5-Trimethoxybenzamide
CID 18334
N-(2-phenylethyl)-1,3-benzodioxole-5-carboxamide
CID 669595

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(1-phenylpropan-2-yl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(1-phenylpropan-2-yl)benzamide (CID 29032) is 3,4,5-trimethoxy-N-(1-phenylpropan-2-yl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(1-phenylpropan-2-yl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(1-phenylpropan-2-yl)benzamide is COc1cc(C(=O)NC(C)Cc2ccccc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(1-phenylpropan-2-yl)benzamide?
The InChIKey is IZVWGCYQLXQLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-13(10-14-8-6-5-7-9-14)20-19(21)15-11-16(22-2)18(24-4)17(12-15)23-3/h5-9,11-13H,10H2,1-4H3,(H,20,21).
What are the key properties of 3,4,5-trimethoxy-N-(1-phenylpropan-2-yl)benzamide?
3,4,5-trimethoxy-N-(1-phenylpropan-2-yl)benzamide has a molecular weight of 329.40 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(1-phenylpropan-2-yl)benzamide is sourced from PubChem (CID 29032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).