N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(2-methylpropoxy)propanamide

C18H25N3O2 — CID 47044175

IUPACN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(2-methylpropoxy)propanamide
SMILESCC(C)COC(C)C(=O)NCc1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C18H25N3O2/c1-14(2)12-23-15(3)18(22)20-10-16-4-6-17(7-5-16)11-21-9-8-19-13-21/h4-9,13-15H,10-12H2,1-3H3,(H,20,22)
InChIKeyVJLOAMQAMHNMLH-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.61
Rot. Bonds8

About N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(2-methylpropoxy)propanamide

N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(2-methylpropoxy)propanamide (PubChem CID 47044175) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(2-methylpropoxy)propanamide.

Molecular Properties

Compound NameN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(2-methylpropoxy)propanamide
PubChem CID47044175
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(2-methylpropoxy)propanamide
SMILESCC(C)COC(C)C(=O)NCc1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C18H25N3O2/c1-14(2)12-23-15(3)18(22)20-10-16-4-6-17(7-5-16)11-21-9-8-19-13-21/h4-9,13-15H,10-12H2,1-3H3,(H,20,22)
InChIKeyVJLOAMQAMHNMLH-UHFFFAOYSA-N
XLogP2.61
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(2-methylpropoxy)propanamide?
The IUPAC name of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(2-methylpropoxy)propanamide (CID 47044175) is N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(2-methylpropoxy)propanamide.
What is the SMILES notation for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(2-methylpropoxy)propanamide?
The canonical SMILES for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(2-methylpropoxy)propanamide is CC(C)COC(C)C(=O)NCc1ccc(Cn2ccnc2)cc1.
What is the InChIKey of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(2-methylpropoxy)propanamide?
The InChIKey is VJLOAMQAMHNMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-14(2)12-23-15(3)18(22)20-10-16-4-6-17(7-5-16)11-21-9-8-19-13-21/h4-9,13-15H,10-12H2,1-3H3,(H,20,22).
What are the key properties of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(2-methylpropoxy)propanamide?
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(2-methylpropoxy)propanamide has a molecular weight of 315.42 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(2-methylpropoxy)propanamide is sourced from PubChem (CID 47044175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).