N-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]-4-imidazol-1-ylbenzamide

C22H26N4O4 — CID 14739881

IUPACN-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]-4-imidazol-1-ylbenzamide
SMILESCOc1ccc(OCC(O)CNCCNC(=O)c2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C22H26N4O4/c1-29-20-6-8-21(9-7-20)30-15-19(27)14-23-10-11-25-22(28)17-2-4-18(5-3-17)26-13-12-24-16-26/h2-9,12-13,16,19,23,27H,10-11,14-15H2,1H3,(H,25,28)
InChIKeyGSYAWOHAESBPCD-UHFFFAOYSA-N
MW410.47 g/mol
LogP1.64
Rot. Bonds11

About N-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]-4-imidazol-1-ylbenzamide

N-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]-4-imidazol-1-ylbenzamide (PubChem CID 14739881) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]-4-imidazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]-4-imidazol-1-ylbenzamide
PubChem CID14739881
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC NameN-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]-4-imidazol-1-ylbenzamide
SMILESCOc1ccc(OCC(O)CNCCNC(=O)c2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C22H26N4O4/c1-29-20-6-8-21(9-7-20)30-15-19(27)14-23-10-11-25-22(28)17-2-4-18(5-3-17)26-13-12-24-16-26/h2-9,12-13,16,19,23,27H,10-11,14-15H2,1H3,(H,25,28)
InChIKeyGSYAWOHAESBPCD-UHFFFAOYSA-N
XLogP1.64
TPSA97.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]-4-imidazol-1-ylbenzamide?
The IUPAC name of N-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]-4-imidazol-1-ylbenzamide (CID 14739881) is N-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]-4-imidazol-1-ylbenzamide.
What is the SMILES notation for N-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]-4-imidazol-1-ylbenzamide?
The canonical SMILES for N-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]-4-imidazol-1-ylbenzamide is COc1ccc(OCC(O)CNCCNC(=O)c2ccc(-n3ccnc3)cc2)cc1.
What is the InChIKey of N-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]-4-imidazol-1-ylbenzamide?
The InChIKey is GSYAWOHAESBPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-29-20-6-8-21(9-7-20)30-15-19(27)14-23-10-11-25-22(28)17-2-4-18(5-3-17)26-13-12-24-16-26/h2-9,12-13,16,19,23,27H,10-11,14-15H2,1H3,(H,25,28).
What are the key properties of N-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]-4-imidazol-1-ylbenzamide?
N-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]-4-imidazol-1-ylbenzamide has a molecular weight of 410.47 g/mol, XLogP of 1.64, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]-4-imidazol-1-ylbenzamide is sourced from PubChem (CID 14739881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).