N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide

C23H26N4O5 — CID 24980500

IUPACN-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)NC(C)c2ccc(-n3ccnc3)cc2)cc(OC)c1OC
InChIInChI=1S/C23H26N4O5/c1-15(16-5-7-18(8-6-16)27-10-9-24-14-27)26-21(28)13-25-23(29)17-11-19(30-2)22(32-4)20(12-17)31-3/h5-12,14-15H,13H2,1-4H3,(H,25,29)(H,26,28)
InChIKeyTZSGFYFBHZLCHV-UHFFFAOYSA-N
MW438.48 g/mol
LogP2.51
Rot. Bonds9

About N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide

N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide (PubChem CID 24980500) has the molecular formula C23H26N4O5 and a molecular weight of 438.48 g/mol. Its IUPAC name is N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
PubChem CID24980500
Molecular FormulaC23H26N4O5
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC NameN-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)NC(C)c2ccc(-n3ccnc3)cc2)cc(OC)c1OC
InChIInChI=1S/C23H26N4O5/c1-15(16-5-7-18(8-6-16)27-10-9-24-14-27)26-21(28)13-25-23(29)17-11-19(30-2)22(32-4)20(12-17)31-3/h5-12,14-15H,13H2,1-4H3,(H,25,29)(H,26,28)
InChIKeyTZSGFYFBHZLCHV-UHFFFAOYSA-N
XLogP2.51
TPSA103.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 26001629
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,5-dimethoxybenzamide
CID 42916141
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 18112943
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,4-dimethoxybenzamide
CID 18112932
N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-imidazol-1-ylbenzamide
CID 31533466
3,5-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide
CID 43003580
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
N-[2-[[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 9118452
N-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 55360581
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]thiophene-3-carboxamide
CID 27812115
2-(2,4-dibromophenoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 25352434
2-(2-fluorophenoxy)-N-[1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 17498298

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide (CID 24980500) is N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NCC(=O)NC(C)c2ccc(-n3ccnc3)cc2)cc(OC)c1OC.
What is the InChIKey of N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide?
The InChIKey is TZSGFYFBHZLCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5/c1-15(16-5-7-18(8-6-16)27-10-9-24-14-27)26-21(28)13-25-23(29)17-11-19(30-2)22(32-4)20(12-17)31-3/h5-12,14-15H,13H2,1-4H3,(H,25,29)(H,26,28).
What are the key properties of N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide?
N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide has a molecular weight of 438.48 g/mol, XLogP of 2.51, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 24980500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).