N-[1-[[2-methyl-3-[2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]ethoxy]phenyl]methyl]imidazol-2-yl]acetamide

C21H30N4O3 — CID 142063415

IUPACN-[1-[[2-methyl-3-[2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]ethoxy]phenyl]methyl]imidazol-2-yl]acetamide
SMILESC=C(NCCOc1cccc(Cn2ccnc2NC(C)=O)c1C)OC(C)(C)C
InChIInChI=1S/C21H30N4O3/c1-15-18(14-25-12-10-23-20(25)24-16(2)26)8-7-9-19(15)27-13-11-22-17(3)28-21(4,5)6/h7-10,12,22H,3,11,13-14H2,1-2,4-6H3,(H,23,24,26)
InChIKeyDRYMJRCFAMAMHJ-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.45
Rot. Bonds9

About N-[1-[[2-methyl-3-[2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]ethoxy]phenyl]methyl]imidazol-2-yl]acetamide

N-[1-[[2-methyl-3-[2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]ethoxy]phenyl]methyl]imidazol-2-yl]acetamide (PubChem CID 142063415) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[1-[[2-methyl-3-[2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]ethoxy]phenyl]methyl]imidazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[2-methyl-3-[2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]ethoxy]phenyl]methyl]imidazol-2-yl]acetamide
PubChem CID142063415
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC NameN-[1-[[2-methyl-3-[2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]ethoxy]phenyl]methyl]imidazol-2-yl]acetamide
SMILESC=C(NCCOc1cccc(Cn2ccnc2NC(C)=O)c1C)OC(C)(C)C
InChIInChI=1S/C21H30N4O3/c1-15-18(14-25-12-10-23-20(25)24-16(2)26)8-7-9-19(15)27-13-11-22-17(3)28-21(4,5)6/h7-10,12,22H,3,11,13-14H2,1-2,4-6H3,(H,23,24,26)
InChIKeyDRYMJRCFAMAMHJ-UHFFFAOYSA-N
XLogP3.45
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-methyl-3-[2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]ethoxy]phenyl]methyl]imidazol-2-yl]acetamide?
The IUPAC name of N-[1-[[2-methyl-3-[2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]ethoxy]phenyl]methyl]imidazol-2-yl]acetamide (CID 142063415) is N-[1-[[2-methyl-3-[2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]ethoxy]phenyl]methyl]imidazol-2-yl]acetamide.
What is the SMILES notation for N-[1-[[2-methyl-3-[2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]ethoxy]phenyl]methyl]imidazol-2-yl]acetamide?
The canonical SMILES for N-[1-[[2-methyl-3-[2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]ethoxy]phenyl]methyl]imidazol-2-yl]acetamide is C=C(NCCOc1cccc(Cn2ccnc2NC(C)=O)c1C)OC(C)(C)C.
What is the InChIKey of N-[1-[[2-methyl-3-[2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]ethoxy]phenyl]methyl]imidazol-2-yl]acetamide?
The InChIKey is DRYMJRCFAMAMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-15-18(14-25-12-10-23-20(25)24-16(2)26)8-7-9-19(15)27-13-11-22-17(3)28-21(4,5)6/h7-10,12,22H,3,11,13-14H2,1-2,4-6H3,(H,23,24,26).
What are the key properties of N-[1-[[2-methyl-3-[2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]ethoxy]phenyl]methyl]imidazol-2-yl]acetamide?
N-[1-[[2-methyl-3-[2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]ethoxy]phenyl]methyl]imidazol-2-yl]acetamide has a molecular weight of 386.50 g/mol, XLogP of 3.45, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-methyl-3-[2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]ethoxy]phenyl]methyl]imidazol-2-yl]acetamide is sourced from PubChem (CID 142063415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).