N-[3-[4-[(tert-butylamino)methyl]imidazol-1-yl]propyl]-2,2-dimethylpropanamide

C16H30N4O — CID 176596322

IUPACN-[3-[4-[(tert-butylamino)methyl]imidazol-1-yl]propyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)NCc1cn(CCCNC(=O)C(C)(C)C)cn1
InChIInChI=1S/C16H30N4O/c1-15(2,3)14(21)17-8-7-9-20-11-13(18-12-20)10-19-16(4,5)6/h11-12,19H,7-10H2,1-6H3,(H,17,21)
InChIKeyCMVCFLBXFBXTKH-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.32
Rot. Bonds6

About N-[3-[4-[(tert-butylamino)methyl]imidazol-1-yl]propyl]-2,2-dimethylpropanamide

N-[3-[4-[(tert-butylamino)methyl]imidazol-1-yl]propyl]-2,2-dimethylpropanamide (PubChem CID 176596322) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[3-[4-[(tert-butylamino)methyl]imidazol-1-yl]propyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[4-[(tert-butylamino)methyl]imidazol-1-yl]propyl]-2,2-dimethylpropanamide
PubChem CID176596322
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC NameN-[3-[4-[(tert-butylamino)methyl]imidazol-1-yl]propyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)NCc1cn(CCCNC(=O)C(C)(C)C)cn1
InChIInChI=1S/C16H30N4O/c1-15(2,3)14(21)17-8-7-9-20-11-13(18-12-20)10-19-16(4,5)6/h11-12,19H,7-10H2,1-6H3,(H,17,21)
InChIKeyCMVCFLBXFBXTKH-UHFFFAOYSA-N
XLogP2.32
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.32
H-Bond Donors ≤ 52
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-[4-[(tert-butylamino)methyl]imidazol-1-yl]propyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[4-[(tert-butylamino)methyl]imidazol-1-yl]propyl]-2,2-dimethylpropanamide (CID 176596322) is N-[3-[4-[(tert-butylamino)methyl]imidazol-1-yl]propyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[4-[(tert-butylamino)methyl]imidazol-1-yl]propyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[4-[(tert-butylamino)methyl]imidazol-1-yl]propyl]-2,2-dimethylpropanamide is CC(C)(C)NCc1cn(CCCNC(=O)C(C)(C)C)cn1.
What is the InChIKey of N-[3-[4-[(tert-butylamino)methyl]imidazol-1-yl]propyl]-2,2-dimethylpropanamide?
The InChIKey is CMVCFLBXFBXTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-15(2,3)14(21)17-8-7-9-20-11-13(18-12-20)10-19-16(4,5)6/h11-12,19H,7-10H2,1-6H3,(H,17,21).
What are the key properties of N-[3-[4-[(tert-butylamino)methyl]imidazol-1-yl]propyl]-2,2-dimethylpropanamide?
N-[3-[4-[(tert-butylamino)methyl]imidazol-1-yl]propyl]-2,2-dimethylpropanamide has a molecular weight of 294.44 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(tert-butylamino)methyl]imidazol-1-yl]propyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 176596322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).