2-ethoxy-N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]benzamide

C22H24N4O3 — CID 18112949

IUPAC2-ethoxy-N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)NC(C)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C22H24N4O3/c1-3-29-20-7-5-4-6-19(20)22(28)24-14-21(27)25-16(2)17-8-10-18(11-9-17)26-13-12-23-15-26/h4-13,15-16H,3,14H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyDSBNBHFTNXEOAP-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.88
Rot. Bonds8

About 2-ethoxy-N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]benzamide

2-ethoxy-N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]benzamide (PubChem CID 18112949) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]benzamide
PubChem CID18112949
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-ethoxy-N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)NC(C)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C22H24N4O3/c1-3-29-20-7-5-4-6-19(20)22(28)24-14-21(27)25-16(2)17-8-10-18(11-9-17)26-13-12-23-15-26/h4-13,15-16H,3,14H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyDSBNBHFTNXEOAP-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 2-ethoxy-N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]benzamide (CID 18112949) is 2-ethoxy-N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]benzamide is CCOc1ccccc1C(=O)NCC(=O)NC(C)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 2-ethoxy-N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]benzamide?
The InChIKey is DSBNBHFTNXEOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-3-29-20-7-5-4-6-19(20)22(28)24-14-21(27)25-16(2)17-8-10-18(11-9-17)26-13-12-23-15-26/h4-13,15-16H,3,14H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of 2-ethoxy-N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]benzamide?
2-ethoxy-N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]benzamide 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 2-ethoxy-N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 18112949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).