N-[3-(3-methyl-2H-imidazol-1-yl)propyl]acetamide

C9H17N3O — CID 89269343

IUPACN-[3-(3-methyl-2H-imidazol-1-yl)propyl]acetamide
SMILESCC(=O)NCCCN1C=CN(C)C1
InChIInChI=1S/C9H17N3O/c1-9(13)10-4-3-5-12-7-6-11(2)8-12/h6-7H,3-5,8H2,1-2H3,(H,10,13)
InChIKeyTVIDLCJNIHEQKL-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.19
Rot. Bonds4

About N-[3-(3-methyl-2H-imidazol-1-yl)propyl]acetamide

N-[3-(3-methyl-2H-imidazol-1-yl)propyl]acetamide (PubChem CID 89269343) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-[3-(3-methyl-2H-imidazol-1-yl)propyl]acetamide.

Molecular Properties

Compound NameN-[3-(3-methyl-2H-imidazol-1-yl)propyl]acetamide
PubChem CID89269343
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-[3-(3-methyl-2H-imidazol-1-yl)propyl]acetamide
SMILESCC(=O)NCCCN1C=CN(C)C1
InChIInChI=1S/C9H17N3O/c1-9(13)10-4-3-5-12-7-6-11(2)8-12/h6-7H,3-5,8H2,1-2H3,(H,10,13)
InChIKeyTVIDLCJNIHEQKL-UHFFFAOYSA-N
XLogP0.19
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-methyl-2H-imidazol-1-yl)propyl]acetamide?
The IUPAC name of N-[3-(3-methyl-2H-imidazol-1-yl)propyl]acetamide (CID 89269343) is N-[3-(3-methyl-2H-imidazol-1-yl)propyl]acetamide.
What is the SMILES notation for N-[3-(3-methyl-2H-imidazol-1-yl)propyl]acetamide?
The canonical SMILES for N-[3-(3-methyl-2H-imidazol-1-yl)propyl]acetamide is CC(=O)NCCCN1C=CN(C)C1.
What is the InChIKey of N-[3-(3-methyl-2H-imidazol-1-yl)propyl]acetamide?
The InChIKey is TVIDLCJNIHEQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-9(13)10-4-3-5-12-7-6-11(2)8-12/h6-7H,3-5,8H2,1-2H3,(H,10,13).
What are the key properties of N-[3-(3-methyl-2H-imidazol-1-yl)propyl]acetamide?
N-[3-(3-methyl-2H-imidazol-1-yl)propyl]acetamide has a molecular weight of 183.25 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methyl-2H-imidazol-1-yl)propyl]acetamide is sourced from PubChem (CID 89269343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).