N-(3-acetamido-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide

C21H26N2O6 — CID 33307641

IUPACN-(3-acetamido-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCc2cc(OC)c(OC)c(OC)c2)cc1NC(C)=O
InChIInChI=1S/C21H26N2O6/c1-13(24)22-16-12-15(7-8-17(16)26-2)23-20(25)9-6-14-10-18(27-3)21(29-5)19(11-14)28-4/h7-8,10-12H,6,9H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyDNTHLEAVJWIBAG-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.25
Rot. Bonds9

About N-(3-acetamido-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide

N-(3-acetamido-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 33307641) has the molecular formula C21H26N2O6 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-(3-acetamido-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID33307641
Molecular FormulaC21H26N2O6
Molecular Weight402.45 g/mol
Exact Mass402.18
IUPAC NameN-(3-acetamido-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCc2cc(OC)c(OC)c(OC)c2)cc1NC(C)=O
InChIInChI=1S/C21H26N2O6/c1-13(24)22-16-12-15(7-8-17(16)26-2)23-20(25)9-6-14-10-18(27-3)21(29-5)19(11-14)28-4/h7-8,10-12H,6,9H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyDNTHLEAVJWIBAG-UHFFFAOYSA-N
XLogP3.25
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetamido-4-methoxyphenyl)-3-phenylpropanamide
CID 51651956
3-fluoro-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide
CID 46487241
N-(4-tert-butylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 7914234
N-(3-chloro-4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2683148
1,2,3-trimethoxy-5-[3-oxo-3-[4-(sulfinoamino)anilino]propyl]benzene
CID 153265603
N-(3-methylsulfanylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2665681
N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 4884121
N-(5-acetamido-2-methoxyphenyl)-3-chloropropanamide
CID 43236542
3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 2991890
N-[2-methoxy-5-(methylamino)phenyl]acetamide
CID 82649039
N-[4-(1,2-dimethyl-3,5-dioxo-1,2,4-triazolidin-4-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 46786070
N-(3-sulfamoylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9413193

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-(3-acetamido-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide (CID 33307641) is N-(3-acetamido-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-(3-acetamido-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-(3-acetamido-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide is COc1ccc(NC(=O)CCc2cc(OC)c(OC)c(OC)c2)cc1NC(C)=O.
What is the InChIKey of N-(3-acetamido-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is DNTHLEAVJWIBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O6/c1-13(24)22-16-12-15(7-8-17(16)26-2)23-20(25)9-6-14-10-18(27-3)21(29-5)19(11-14)28-4/h7-8,10-12H,6,9H2,1-5H3,(H,22,24)(H,23,25).
What are the key properties of N-(3-acetamido-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide?
N-(3-acetamido-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 402.45 g/mol, XLogP of 3.25, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 33307641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).