2-[2-[(tert-butylamino)methyl]imidazol-1-yl]-N-(3-methoxypropyl)acetamide

C14H26N4O2 — CID 62221114

IUPAC2-[2-[(tert-butylamino)methyl]imidazol-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cn1ccnc1CNC(C)(C)C
InChIInChI=1S/C14H26N4O2/c1-14(2,3)17-10-12-15-7-8-18(12)11-13(19)16-6-5-9-20-4/h7-8,17H,5-6,9-11H2,1-4H3,(H,16,19)
InChIKeyBREYNTXFNLXMDN-UHFFFAOYSA-N
MW282.39 g/mol
LogP0.92
Rot. Bonds8

About 2-[2-[(tert-butylamino)methyl]imidazol-1-yl]-N-(3-methoxypropyl)acetamide

2-[2-[(tert-butylamino)methyl]imidazol-1-yl]-N-(3-methoxypropyl)acetamide (PubChem CID 62221114) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-[2-[(tert-butylamino)methyl]imidazol-1-yl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[2-[(tert-butylamino)methyl]imidazol-1-yl]-N-(3-methoxypropyl)acetamide
PubChem CID62221114
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name2-[2-[(tert-butylamino)methyl]imidazol-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cn1ccnc1CNC(C)(C)C
InChIInChI=1S/C14H26N4O2/c1-14(2,3)17-10-12-15-7-8-18(12)11-13(19)16-6-5-9-20-4/h7-8,17H,5-6,9-11H2,1-4H3,(H,16,19)
InChIKeyBREYNTXFNLXMDN-UHFFFAOYSA-N
XLogP0.92
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-[2-[(tert-butylamino)methyl]imidazol-1-yl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[2-[(tert-butylamino)methyl]imidazol-1-yl]-N-(3-methoxypropyl)acetamide (CID 62221114) is 2-[2-[(tert-butylamino)methyl]imidazol-1-yl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[2-[(tert-butylamino)methyl]imidazol-1-yl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[2-[(tert-butylamino)methyl]imidazol-1-yl]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)Cn1ccnc1CNC(C)(C)C.
What is the InChIKey of 2-[2-[(tert-butylamino)methyl]imidazol-1-yl]-N-(3-methoxypropyl)acetamide?
The InChIKey is BREYNTXFNLXMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-14(2,3)17-10-12-15-7-8-18(12)11-13(19)16-6-5-9-20-4/h7-8,17H,5-6,9-11H2,1-4H3,(H,16,19).
What are the key properties of 2-[2-[(tert-butylamino)methyl]imidazol-1-yl]-N-(3-methoxypropyl)acetamide?
2-[2-[(tert-butylamino)methyl]imidazol-1-yl]-N-(3-methoxypropyl)acetamide has a molecular weight of 282.39 g/mol, XLogP of 0.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(tert-butylamino)methyl]imidazol-1-yl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 62221114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).