N-[2-(1-propan-2-ylimidazol-4-yl)ethyl]acetamide

C10H17N3O — CID 20745941

IUPACN-[2-(1-propan-2-ylimidazol-4-yl)ethyl]acetamide
SMILESCC(=O)NCCc1cn(C(C)C)cn1
InChIInChI=1S/C10H17N3O/c1-8(2)13-6-10(12-7-13)4-5-11-9(3)14/h6-8H,4-5H2,1-3H3,(H,11,14)
InChIKeyCFSFQKBVHOBDHG-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.14
Rot. Bonds4

About N-[2-(1-propan-2-ylimidazol-4-yl)ethyl]acetamide

N-[2-(1-propan-2-ylimidazol-4-yl)ethyl]acetamide (PubChem CID 20745941) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-[2-(1-propan-2-ylimidazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(1-propan-2-ylimidazol-4-yl)ethyl]acetamide
PubChem CID20745941
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-[2-(1-propan-2-ylimidazol-4-yl)ethyl]acetamide
SMILESCC(=O)NCCc1cn(C(C)C)cn1
InChIInChI=1S/C10H17N3O/c1-8(2)13-6-10(12-7-13)4-5-11-9(3)14/h6-8H,4-5H2,1-3H3,(H,11,14)
InChIKeyCFSFQKBVHOBDHG-UHFFFAOYSA-N
XLogP1.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 3614
CID 3614
CID 69520
CID 69520
CID 69602
CID 69602
CID 6419997
CID 6419997
CID 11957601
CID 11957601
CID 2574
CID 2574
CID 1487518
CID 1487518
CID 44292270
CID 44292270
CID 15065556
CID 15065556
CID 15065558
CID 15065558
CID 15065560
CID 15065560
CID 16219661
CID 16219661

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-propan-2-ylimidazol-4-yl)ethyl]acetamide?
The IUPAC name of N-[2-(1-propan-2-ylimidazol-4-yl)ethyl]acetamide (CID 20745941) is N-[2-(1-propan-2-ylimidazol-4-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(1-propan-2-ylimidazol-4-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(1-propan-2-ylimidazol-4-yl)ethyl]acetamide is CC(=O)NCCc1cn(C(C)C)cn1.
What is the InChIKey of N-[2-(1-propan-2-ylimidazol-4-yl)ethyl]acetamide?
The InChIKey is CFSFQKBVHOBDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8(2)13-6-10(12-7-13)4-5-11-9(3)14/h6-8H,4-5H2,1-3H3,(H,11,14).
What are the key properties of N-[2-(1-propan-2-ylimidazol-4-yl)ethyl]acetamide?
N-[2-(1-propan-2-ylimidazol-4-yl)ethyl]acetamide has a molecular weight of 195.27 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-propan-2-ylimidazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 20745941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).