N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(5-methyl-1H-imidazol-2-yl)phenyl]ethoxy]propanamide

C25H37N3O4 — CID 90755681

IUPACN-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(5-methyl-1H-imidazol-2-yl)phenyl]ethoxy]propanamide
SMILESCOC(CN(C(=O)CCOCCc1cccc(-c2ncc(C)[nH]2)c1)C1CCCCC1)OC
InChIInChI=1S/C25H37N3O4/c1-19-17-26-25(27-19)21-9-7-8-20(16-21)12-14-32-15-13-23(29)28(18-24(30-2)31-3)22-10-5-4-6-11-22/h7-9,16-17,22,24H,4-6,10-15,18H2,1-3H3,(H,26,27)
InChIKeyAUBPYPYYGWBUBW-UHFFFAOYSA-N
MW443.59 g/mol
LogP4.11
Rot. Bonds12

About N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(5-methyl-1H-imidazol-2-yl)phenyl]ethoxy]propanamide

N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(5-methyl-1H-imidazol-2-yl)phenyl]ethoxy]propanamide (PubChem CID 90755681) has the molecular formula C25H37N3O4 and a molecular weight of 443.59 g/mol. Its IUPAC name is N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(5-methyl-1H-imidazol-2-yl)phenyl]ethoxy]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(5-methyl-1H-imidazol-2-yl)phenyl]ethoxy]propanamide
PubChem CID90755681
Molecular FormulaC25H37N3O4
Molecular Weight443.59 g/mol
Exact Mass443.28
IUPAC NameN-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(5-methyl-1H-imidazol-2-yl)phenyl]ethoxy]propanamide
SMILESCOC(CN(C(=O)CCOCCc1cccc(-c2ncc(C)[nH]2)c1)C1CCCCC1)OC
InChIInChI=1S/C25H37N3O4/c1-19-17-26-25(27-19)21-9-7-8-20(16-21)12-14-32-15-13-23(29)28(18-24(30-2)31-3)22-10-5-4-6-11-22/h7-9,16-17,22,24H,4-6,10-15,18H2,1-3H3,(H,26,27)
InChIKeyAUBPYPYYGWBUBW-UHFFFAOYSA-N
XLogP4.11
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(5-methyl-1H-imidazol-2-yl)phenyl]ethoxy]propanamide?
The IUPAC name of N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(5-methyl-1H-imidazol-2-yl)phenyl]ethoxy]propanamide (CID 90755681) is N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(5-methyl-1H-imidazol-2-yl)phenyl]ethoxy]propanamide.
What is the SMILES notation for N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(5-methyl-1H-imidazol-2-yl)phenyl]ethoxy]propanamide?
The canonical SMILES for N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(5-methyl-1H-imidazol-2-yl)phenyl]ethoxy]propanamide is COC(CN(C(=O)CCOCCc1cccc(-c2ncc(C)[nH]2)c1)C1CCCCC1)OC.
What is the InChIKey of N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(5-methyl-1H-imidazol-2-yl)phenyl]ethoxy]propanamide?
The InChIKey is AUBPYPYYGWBUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O4/c1-19-17-26-25(27-19)21-9-7-8-20(16-21)12-14-32-15-13-23(29)28(18-24(30-2)31-3)22-10-5-4-6-11-22/h7-9,16-17,22,24H,4-6,10-15,18H2,1-3H3,(H,26,27).
What are the key properties of N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(5-methyl-1H-imidazol-2-yl)phenyl]ethoxy]propanamide?
N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(5-methyl-1H-imidazol-2-yl)phenyl]ethoxy]propanamide has a molecular weight of 443.59 g/mol, XLogP of 4.11, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(5-methyl-1H-imidazol-2-yl)phenyl]ethoxy]propanamide is sourced from PubChem (CID 90755681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).