3,4,5-trimethoxy-N-(2-propan-2-yloxyphenyl)benzamide

C19H23NO5 — CID 673819

IUPAC3,4,5-trimethoxy-N-(2-propan-2-yloxyphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2OC(C)C)cc(OC)c1OC
InChIInChI=1S/C19H23NO5/c1-12(2)25-15-9-7-6-8-14(15)20-19(21)13-10-16(22-3)18(24-5)17(11-13)23-4/h6-12H,1-5H3,(H,20,21)
InChIKeyWKLLDVPBVWIAJG-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.75
Rot. Bonds7

About 3,4,5-trimethoxy-N-(2-propan-2-yloxyphenyl)benzamide

3,4,5-trimethoxy-N-(2-propan-2-yloxyphenyl)benzamide (PubChem CID 673819) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(2-propan-2-yloxyphenyl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(2-propan-2-yloxyphenyl)benzamide
PubChem CID673819
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Name3,4,5-trimethoxy-N-(2-propan-2-yloxyphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2OC(C)C)cc(OC)c1OC
InChIInChI=1S/C19H23NO5/c1-12(2)25-15-9-7-6-8-14(15)20-19(21)13-10-16(22-3)18(24-5)17(11-13)23-4/h6-12H,1-5H3,(H,20,21)
InChIKeyWKLLDVPBVWIAJG-UHFFFAOYSA-N
XLogP3.75
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trimethoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 990875
3,4,5-trimethoxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154687
3,5-dichloro-N-(2-propan-2-yloxyphenyl)benzamide
CID 17151016
3,4,5-trimethoxy-N-[2-[[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]disulfanyl]phenyl]benzamide
CID 4001036
3-bromo-4-methoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150898
3,4,5-trimethoxy-N-(3-methoxy-4-propan-2-yloxyphenyl)benzamide
CID 26435232
N-(2-methoxyphenyl)-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide
CID 109177874
N-(2-butan-2-ylphenyl)-3,4,5-trimethoxybenzamide
CID 11841254
1-N-phenyl-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109049242
3-methyl-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150877
3-methoxy-N-naphthalen-1-yl-4-propan-2-yloxybenzamide
CID 112762780
3-bromo-4-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150992

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(2-propan-2-yloxyphenyl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(2-propan-2-yloxyphenyl)benzamide (CID 673819) is 3,4,5-trimethoxy-N-(2-propan-2-yloxyphenyl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(2-propan-2-yloxyphenyl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(2-propan-2-yloxyphenyl)benzamide is COc1cc(C(=O)Nc2ccccc2OC(C)C)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(2-propan-2-yloxyphenyl)benzamide?
The InChIKey is WKLLDVPBVWIAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c1-12(2)25-15-9-7-6-8-14(15)20-19(21)13-10-16(22-3)18(24-5)17(11-13)23-4/h6-12H,1-5H3,(H,20,21).
What are the key properties of 3,4,5-trimethoxy-N-(2-propan-2-yloxyphenyl)benzamide?
3,4,5-trimethoxy-N-(2-propan-2-yloxyphenyl)benzamide has a molecular weight of 345.40 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(2-propan-2-yloxyphenyl)benzamide is sourced from PubChem (CID 673819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).