N-[2,5-dimethoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide

C27H30N2O7 — CID 24570959

IUPACN-[2,5-dimethoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C27H30N2O7/c1-32-21-16-20(29-27(31)18-9-7-6-8-10-18)22(33-2)15-19(21)28-25(30)12-11-17-13-23(34-3)26(36-5)24(14-17)35-4/h6-10,13-16H,11-12H2,1-5H3,(H,28,30)(H,29,31)
InChIKeyOYDGGNWXZAUZEJ-UHFFFAOYSA-N
MW494.54 g/mol
LogP4.55
Rot. Bonds11

About N-[2,5-dimethoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide

N-[2,5-dimethoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide (PubChem CID 24570959) has the molecular formula C27H30N2O7 and a molecular weight of 494.54 g/mol. Its IUPAC name is N-[2,5-dimethoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide.

Molecular Properties

Compound NameN-[2,5-dimethoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide
PubChem CID24570959
Molecular FormulaC27H30N2O7
Molecular Weight494.54 g/mol
Exact Mass494.21
IUPAC NameN-[2,5-dimethoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C27H30N2O7/c1-32-21-16-20(29-27(31)18-9-7-6-8-10-18)22(33-2)15-19(21)28-25(30)12-11-17-13-23(34-3)26(36-5)24(14-17)35-4/h6-10,13-16H,11-12H2,1-5H3,(H,28,30)(H,29,31)
InChIKeyOYDGGNWXZAUZEJ-UHFFFAOYSA-N
XLogP4.55
TPSA104.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.54
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
N'-(4-benzamido-2,5-dimethoxyphenyl)-N-benzylpentanediamide
CID 3274754
N-(2-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2710290
N-(2-aminophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
CID 119422110
3-fluoro-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide
CID 46487241
N-[4-[3-(2,3-dichlorophenyl)propanoylamino]-2,5-dimethoxyphenyl]benzamide
CID 38911210
ethyl 4-(4-benzamido-2,5-dimethoxyanilino)-4-oxobutanoate
CID 9087779
N-[2-methoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]pyridine-3-carboxamide
CID 33497824
N-[4-(3,3-dimethylbutanoylamino)-2,5-dimethoxyphenyl]benzamide
CID 40521638
3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 2991890
N-(4-benzamido-2,5-dimethoxyphenyl)-N'-(1-phenylethyl)butanediamide
CID 4203137
N-[2-(difluoromethoxy)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 8019876

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dimethoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide?
The IUPAC name of N-[2,5-dimethoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide (CID 24570959) is N-[2,5-dimethoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide.
What is the SMILES notation for N-[2,5-dimethoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide?
The canonical SMILES for N-[2,5-dimethoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide is COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CCc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-[2,5-dimethoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide?
The InChIKey is OYDGGNWXZAUZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O7/c1-32-21-16-20(29-27(31)18-9-7-6-8-10-18)22(33-2)15-19(21)28-25(30)12-11-17-13-23(34-3)26(36-5)24(14-17)35-4/h6-10,13-16H,11-12H2,1-5H3,(H,28,30)(H,29,31).
What are the key properties of N-[2,5-dimethoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide?
N-[2,5-dimethoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide has a molecular weight of 494.54 g/mol, XLogP of 4.55, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dimethoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide is sourced from PubChem (CID 24570959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).