N,N-di(butan-2-yl)-2-(1H-imidazol-5-yl)acetamide

C13H23N3O — CID 25134065

IUPACN,N-di(butan-2-yl)-2-(1H-imidazol-5-yl)acetamide
SMILESCCC(C)N(C(=O)Cc1cnc[nH]1)C(C)CC
InChIInChI=1S/C13H23N3O/c1-5-10(3)16(11(4)6-2)13(17)7-12-8-14-9-15-12/h8-11H,5-7H2,1-4H3,(H,14,15)
InChIKeyQCVBXJBALNJUJZ-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.38
Rot. Bonds6

About N,N-di(butan-2-yl)-2-(1H-imidazol-5-yl)acetamide

N,N-di(butan-2-yl)-2-(1H-imidazol-5-yl)acetamide (PubChem CID 25134065) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N,N-di(butan-2-yl)-2-(1H-imidazol-5-yl)acetamide.

Molecular Properties

Compound NameN,N-di(butan-2-yl)-2-(1H-imidazol-5-yl)acetamide
PubChem CID25134065
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN,N-di(butan-2-yl)-2-(1H-imidazol-5-yl)acetamide
SMILESCCC(C)N(C(=O)Cc1cnc[nH]1)C(C)CC
InChIInChI=1S/C13H23N3O/c1-5-10(3)16(11(4)6-2)13(17)7-12-8-14-9-15-12/h8-11H,5-7H2,1-4H3,(H,14,15)
InChIKeyQCVBXJBALNJUJZ-UHFFFAOYSA-N
XLogP2.38
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-di(butan-2-yl)-2-(1H-imidazol-5-yl)acetamide?
The IUPAC name of N,N-di(butan-2-yl)-2-(1H-imidazol-5-yl)acetamide (CID 25134065) is N,N-di(butan-2-yl)-2-(1H-imidazol-5-yl)acetamide.
What is the SMILES notation for N,N-di(butan-2-yl)-2-(1H-imidazol-5-yl)acetamide?
The canonical SMILES for N,N-di(butan-2-yl)-2-(1H-imidazol-5-yl)acetamide is CCC(C)N(C(=O)Cc1cnc[nH]1)C(C)CC.
What is the InChIKey of N,N-di(butan-2-yl)-2-(1H-imidazol-5-yl)acetamide?
The InChIKey is QCVBXJBALNJUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-10(3)16(11(4)6-2)13(17)7-12-8-14-9-15-12/h8-11H,5-7H2,1-4H3,(H,14,15).
What are the key properties of N,N-di(butan-2-yl)-2-(1H-imidazol-5-yl)acetamide?
N,N-di(butan-2-yl)-2-(1H-imidazol-5-yl)acetamide has a molecular weight of 237.35 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(butan-2-yl)-2-(1H-imidazol-5-yl)acetamide is sourced from PubChem (CID 25134065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).