3,4,5-trimethoxy-N-[4-(2-methylpropylamino)phenyl]benzamide

C20H26N2O4 — CID 112980351

IUPAC3,4,5-trimethoxy-N-[4-(2-methylpropylamino)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(NCC(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C20H26N2O4/c1-13(2)12-21-15-6-8-16(9-7-15)22-20(23)14-10-17(24-3)19(26-5)18(11-14)25-4/h6-11,13,21H,12H2,1-5H3,(H,22,23)
InChIKeyOHYDGBPATSZEIE-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.03
Rot. Bonds8

About 3,4,5-trimethoxy-N-[4-(2-methylpropylamino)phenyl]benzamide

3,4,5-trimethoxy-N-[4-(2-methylpropylamino)phenyl]benzamide (PubChem CID 112980351) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[4-(2-methylpropylamino)phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[4-(2-methylpropylamino)phenyl]benzamide
PubChem CID112980351
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name3,4,5-trimethoxy-N-[4-(2-methylpropylamino)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(NCC(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C20H26N2O4/c1-13(2)12-21-15-6-8-16(9-7-15)22-20(23)14-10-17(24-3)19(26-5)18(11-14)25-4/h6-11,13,21H,12H2,1-5H3,(H,22,23)
InChIKeyOHYDGBPATSZEIE-UHFFFAOYSA-N
XLogP4.03
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trimethoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 17193980
N-[4-(1-hydroxyethyl)phenyl]-3,4,5-trimethoxybenzamide
CID 91676904
6-(2-methylpropylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109151861
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
N-[4-[3-(dimethylamino)propylamino]phenyl]-3,4,5-trimethoxybenzamide
CID 112981526
3-methoxy-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980344
3,4,5-trimethoxy-N-(3-methoxy-4-propan-2-yloxyphenyl)benzamide
CID 26435232
3,4-dimethyl-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980349
3,4,5-trimethoxy-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide
CID 112981189
3,4,5-trimethoxy-N-(4-phenyldiazenylphenyl)benzamide
CID 3504342
3,4,5-trimethoxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154687
3,4,5-trimethoxy-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 55891061

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[4-(2-methylpropylamino)phenyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[4-(2-methylpropylamino)phenyl]benzamide (CID 112980351) is 3,4,5-trimethoxy-N-[4-(2-methylpropylamino)phenyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[4-(2-methylpropylamino)phenyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[4-(2-methylpropylamino)phenyl]benzamide is COc1cc(C(=O)Nc2ccc(NCC(C)C)cc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[4-(2-methylpropylamino)phenyl]benzamide?
The InChIKey is OHYDGBPATSZEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-13(2)12-21-15-6-8-16(9-7-15)22-20(23)14-10-17(24-3)19(26-5)18(11-14)25-4/h6-11,13,21H,12H2,1-5H3,(H,22,23).
What are the key properties of 3,4,5-trimethoxy-N-[4-(2-methylpropylamino)phenyl]benzamide?
3,4,5-trimethoxy-N-[4-(2-methylpropylamino)phenyl]benzamide has a molecular weight of 358.44 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[4-(2-methylpropylamino)phenyl]benzamide is sourced from PubChem (CID 112980351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).