4-acetamido-N-(3-imidazol-1-ylpropyl)butanamide

C12H20N4O2 — CID 75493158

IUPAC4-acetamido-N-(3-imidazol-1-ylpropyl)butanamide
SMILESCC(=O)NCCCC(=O)NCCCn1ccnc1
InChIInChI=1S/C12H20N4O2/c1-11(17)14-5-2-4-12(18)15-6-3-8-16-9-7-13-10-16/h7,9-10H,2-6,8H2,1H3,(H,14,17)(H,15,18)
InChIKeyUISKDGFRDJJOBD-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.31
Rot. Bonds8

About 4-acetamido-N-(3-imidazol-1-ylpropyl)butanamide

4-acetamido-N-(3-imidazol-1-ylpropyl)butanamide (PubChem CID 75493158) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-acetamido-N-(3-imidazol-1-ylpropyl)butanamide.

Molecular Properties

Compound Name4-acetamido-N-(3-imidazol-1-ylpropyl)butanamide
PubChem CID75493158
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name4-acetamido-N-(3-imidazol-1-ylpropyl)butanamide
SMILESCC(=O)NCCCC(=O)NCCCn1ccnc1
InChIInChI=1S/C12H20N4O2/c1-11(17)14-5-2-4-12(18)15-6-3-8-16-9-7-13-10-16/h7,9-10H,2-6,8H2,1H3,(H,14,17)(H,15,18)
InChIKeyUISKDGFRDJJOBD-UHFFFAOYSA-N
XLogP0.31
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.31
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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Related Compounds

1-Butyrylimidazole
CID 643404
1-(4-Imidazol-1-ylbut-2-ynyl)pyrrolidin-2-one
CID 15065548
N-(4-imidazol-1-ylbut-2-ynyl)acetamide
CID 15065586
N-butyl-N'-[3-(1H-imidazol-1-yl)propyl]ethanediamide
CID 565508
1-(1-oxopropyl)-1H-imidazole
CID 77770
2,2,3,3-tetrafluoro-N,N'-bis[3-(1H-imidazol-1-yl)propyl]succinamide
CID 2932359
N1-(3-(1H-imidazol-1-yl)propyl)-N2-cyclohexyloxalamide
CID 3122124
(2E)-2-(hydroxyimino)-N-[3-(1H-imidazol-1-yl)propyl]ethanamide
CID 9553256
1-Ethenyl-3-methylimidazol-3-ium;1-ethenylpyrrolidin-2-one;chloride
CID 163647
(2S)-3,3-Dimethyl-2-(((1-methyl-1H-imidazol-2-yl)methyl)amino)-N-((1R)-1,2,2-trimethylpropyl)butanamide
CID 11851249
N-[3-(1H-imidazol-1-yl)propyl]-5-oxoprolinamide
CID 653923
2,2,2-trichloro-N-[3-(1H-imidazol-1-yl)propyl]acetamide
CID 2889672

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-(3-imidazol-1-ylpropyl)butanamide?
The IUPAC name of 4-acetamido-N-(3-imidazol-1-ylpropyl)butanamide (CID 75493158) is 4-acetamido-N-(3-imidazol-1-ylpropyl)butanamide.
What is the SMILES notation for 4-acetamido-N-(3-imidazol-1-ylpropyl)butanamide?
The canonical SMILES for 4-acetamido-N-(3-imidazol-1-ylpropyl)butanamide is CC(=O)NCCCC(=O)NCCCn1ccnc1.
What is the InChIKey of 4-acetamido-N-(3-imidazol-1-ylpropyl)butanamide?
The InChIKey is UISKDGFRDJJOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-11(17)14-5-2-4-12(18)15-6-3-8-16-9-7-13-10-16/h7,9-10H,2-6,8H2,1H3,(H,14,17)(H,15,18).
What are the key properties of 4-acetamido-N-(3-imidazol-1-ylpropyl)butanamide?
4-acetamido-N-(3-imidazol-1-ylpropyl)butanamide has a molecular weight of 252.32 g/mol, XLogP of 0.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-(3-imidazol-1-ylpropyl)butanamide is sourced from PubChem (CID 75493158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).