N-[3-[1-(4-imidazol-1-ylphenyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide

C22H24N4O3 — CID 24982094

IUPACN-[3-[1-(4-imidazol-1-ylphenyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)NC(C)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C22H24N4O3/c1-16(17-7-9-18(10-8-17)26-14-13-23-15-26)25-21(27)11-12-24-22(28)19-5-3-4-6-20(19)29-2/h3-10,13-16H,11-12H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyDDXNEERCRGAYLO-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.88
Rot. Bonds8

About N-[3-[1-(4-imidazol-1-ylphenyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide

N-[3-[1-(4-imidazol-1-ylphenyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide (PubChem CID 24982094) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[3-[1-(4-imidazol-1-ylphenyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[1-(4-imidazol-1-ylphenyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide
PubChem CID24982094
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[3-[1-(4-imidazol-1-ylphenyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)NC(C)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C22H24N4O3/c1-16(17-7-9-18(10-8-17)26-14-13-23-15-26)25-21(27)11-12-24-22(28)19-5-3-4-6-20(19)29-2/h3-10,13-16H,11-12H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyDDXNEERCRGAYLO-UHFFFAOYSA-N
XLogP2.88
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(4-imidazol-1-ylphenyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide?
The IUPAC name of N-[3-[1-(4-imidazol-1-ylphenyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide (CID 24982094) is N-[3-[1-(4-imidazol-1-ylphenyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide.
What is the SMILES notation for N-[3-[1-(4-imidazol-1-ylphenyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide?
The canonical SMILES for N-[3-[1-(4-imidazol-1-ylphenyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCCC(=O)NC(C)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[3-[1-(4-imidazol-1-ylphenyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide?
The InChIKey is DDXNEERCRGAYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-16(17-7-9-18(10-8-17)26-14-13-23-15-26)25-21(27)11-12-24-22(28)19-5-3-4-6-20(19)29-2/h3-10,13-16H,11-12H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of N-[3-[1-(4-imidazol-1-ylphenyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide?
N-[3-[1-(4-imidazol-1-ylphenyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide has a molecular weight of 392.46 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(4-imidazol-1-ylphenyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide is sourced from PubChem (CID 24982094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).