N-[4,5-bis[(3,4-dimethoxyphenyl)methyl]-1-methylimidazol-2-yl]-3-(3,4,5-trimethoxyphenyl)-N-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanamide

C46H55N3O12 — CID 90681316

IUPACN-[4,5-bis[(3,4-dimethoxyphenyl)methyl]-1-methylimidazol-2-yl]-3-(3,4,5-trimethoxyphenyl)-N-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanamide
SMILESCOc1ccc(Cc2nc(N(C(=O)CCc3cc(OC)c(OC)c(OC)c3)C(=O)CCc3cc(OC)c(OC)c(OC)c3)n(C)c2Cc2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C46H55N3O12/c1-48-33(21-29-13-17-35(53-3)37(23-29)55-5)32(20-28-12-16-34(52-2)36(22-28)54-4)47-46(48)49(42(50)18-14-30-24-38(56-6)44(60-10)39(25-30)57-7)43(51)19-15-31-26-40(58-8)45(61-11)41(27-31)59-9/h12-13,16-17,22-27H,14-15,18-21H2,1-11H3
InChIKeyATHWIHZPSUEZIO-UHFFFAOYSA-N
MW841.95 g/mol
LogP6.81
Rot. Bonds21

About N-[4,5-bis[(3,4-dimethoxyphenyl)methyl]-1-methylimidazol-2-yl]-3-(3,4,5-trimethoxyphenyl)-N-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanamide

N-[4,5-bis[(3,4-dimethoxyphenyl)methyl]-1-methylimidazol-2-yl]-3-(3,4,5-trimethoxyphenyl)-N-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanamide (PubChem CID 90681316) has the molecular formula C46H55N3O12 and a molecular weight of 841.95 g/mol. Its IUPAC name is N-[4,5-bis[(3,4-dimethoxyphenyl)methyl]-1-methylimidazol-2-yl]-3-(3,4,5-trimethoxyphenyl)-N-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanamide.

Molecular Properties

Compound NameN-[4,5-bis[(3,4-dimethoxyphenyl)methyl]-1-methylimidazol-2-yl]-3-(3,4,5-trimethoxyphenyl)-N-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanamide
PubChem CID90681316
Molecular FormulaC46H55N3O12
Molecular Weight841.95 g/mol
Exact Mass841.38
IUPAC NameN-[4,5-bis[(3,4-dimethoxyphenyl)methyl]-1-methylimidazol-2-yl]-3-(3,4,5-trimethoxyphenyl)-N-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanamide
SMILESCOc1ccc(Cc2nc(N(C(=O)CCc3cc(OC)c(OC)c(OC)c3)C(=O)CCc3cc(OC)c(OC)c(OC)c3)n(C)c2Cc2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C46H55N3O12/c1-48-33(21-29-13-17-35(53-3)37(23-29)55-5)32(20-28-12-16-34(52-2)36(22-28)54-4)47-46(48)49(42(50)18-14-30-24-38(56-6)44(60-10)39(25-30)57-7)43(51)19-15-31-26-40(58-8)45(61-11)41(27-31)59-9/h12-13,16-17,22-27H,14-15,18-21H2,1-11H3
InChIKeyATHWIHZPSUEZIO-UHFFFAOYSA-N
XLogP6.81
TPSA147.50 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds21
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500841.95
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze N-[4,5-bis[(3,4-dimethoxyphenyl)methyl]-1-methylimidazol-2-yl]-3-(3,4,5-trimethoxyphenyl)-N-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanamide with MolForge

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Related Compounds

4,5-bis[(3,4-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine
CID 90681304
N-methyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide
CID 116845027
N-methoxy-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide
CID 11832915
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[5-oxo-3-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazin-6-yl]propanamide
CID 135859511
3-(3-amino-4,5-dimethoxyphenyl)-N,N-dimethylpropanamide
CID 82070872
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 26826376
3-(3,4,5-trimethoxyphenyl)propanoyl chloride
CID 14650097
3-(3,4,5-trimethoxyphenyl)propanoyl iodide
CID 152966840
3-(3,4-dimethoxyphenyl)propanamide;hydrochloride
CID 70371168
1-pyridin-2-yl-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 94921510
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-8-ol
CID 174897371
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55595817

Frequently Asked Questions

What is the IUPAC name of N-[4,5-bis[(3,4-dimethoxyphenyl)methyl]-1-methylimidazol-2-yl]-3-(3,4,5-trimethoxyphenyl)-N-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanamide?
The IUPAC name of N-[4,5-bis[(3,4-dimethoxyphenyl)methyl]-1-methylimidazol-2-yl]-3-(3,4,5-trimethoxyphenyl)-N-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanamide (CID 90681316) is N-[4,5-bis[(3,4-dimethoxyphenyl)methyl]-1-methylimidazol-2-yl]-3-(3,4,5-trimethoxyphenyl)-N-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanamide.
What is the SMILES notation for N-[4,5-bis[(3,4-dimethoxyphenyl)methyl]-1-methylimidazol-2-yl]-3-(3,4,5-trimethoxyphenyl)-N-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanamide?
The canonical SMILES for N-[4,5-bis[(3,4-dimethoxyphenyl)methyl]-1-methylimidazol-2-yl]-3-(3,4,5-trimethoxyphenyl)-N-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanamide is COc1ccc(Cc2nc(N(C(=O)CCc3cc(OC)c(OC)c(OC)c3)C(=O)CCc3cc(OC)c(OC)c(OC)c3)n(C)c2Cc2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of N-[4,5-bis[(3,4-dimethoxyphenyl)methyl]-1-methylimidazol-2-yl]-3-(3,4,5-trimethoxyphenyl)-N-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanamide?
The InChIKey is ATHWIHZPSUEZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H55N3O12/c1-48-33(21-29-13-17-35(53-3)37(23-29)55-5)32(20-28-12-16-34(52-2)36(22-28)54-4)47-46(48)49(42(50)18-14-30-24-38(56-6)44(60-10)39(25-30)57-7)43(51)19-15-31-26-40(58-8)45(61-11)41(27-31)59-9/h12-13,16-17,22-27H,14-15,18-21H2,1-11H3.
What are the key properties of N-[4,5-bis[(3,4-dimethoxyphenyl)methyl]-1-methylimidazol-2-yl]-3-(3,4,5-trimethoxyphenyl)-N-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanamide?
N-[4,5-bis[(3,4-dimethoxyphenyl)methyl]-1-methylimidazol-2-yl]-3-(3,4,5-trimethoxyphenyl)-N-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanamide has a molecular weight of 841.95 g/mol, XLogP of 6.81, 21 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-bis[(3,4-dimethoxyphenyl)methyl]-1-methylimidazol-2-yl]-3-(3,4,5-trimethoxyphenyl)-N-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanamide is sourced from PubChem (CID 90681316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).