N-(3-imidazol-1-ylpropyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide

C18H25N3O2 — CID 4885534

IUPACN-(3-imidazol-1-ylpropyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)cc1OCC(=O)NCCCn1ccnc1
InChIInChI=1S/C18H25N3O2/c1-14(2)16-6-5-15(3)17(11-16)23-12-18(22)20-7-4-9-21-10-8-19-13-21/h5-6,8,10-11,13-14H,4,7,9,12H2,1-3H3,(H,20,22)
InChIKeyBQDWDTAMAIPULE-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.90
Rot. Bonds8

About N-(3-imidazol-1-ylpropyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide

N-(3-imidazol-1-ylpropyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide (PubChem CID 4885534) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
PubChem CID4885534
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)cc1OCC(=O)NCCCn1ccnc1
InChIInChI=1S/C18H25N3O2/c1-14(2)16-6-5-15(3)17(11-16)23-12-18(22)20-7-4-9-21-10-8-19-13-21/h5-6,8,10-11,13-14H,4,7,9,12H2,1-3H3,(H,20,22)
InChIKeyBQDWDTAMAIPULE-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3-imidazol-1-ylpropyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide (CID 4885534) is N-(3-imidazol-1-ylpropyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide is Cc1ccc(C(C)C)cc1OCC(=O)NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide?
The InChIKey is BQDWDTAMAIPULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-14(2)16-6-5-15(3)17(11-16)23-12-18(22)20-7-4-9-21-10-8-19-13-21/h5-6,8,10-11,13-14H,4,7,9,12H2,1-3H3,(H,20,22).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide?
N-(3-imidazol-1-ylpropyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide has a molecular weight of 315.42 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 4885534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).