N,N-bis(3-methylbutyl)-2-(5-methyl-1H-imidazol-4-yl)acetamide

C16H29N3O — CID 166218096

IUPACN,N-bis(3-methylbutyl)-2-(5-methyl-1H-imidazol-4-yl)acetamide
SMILESCc1[nH]cnc1CC(=O)N(CCC(C)C)CCC(C)C
InChIInChI=1S/C16H29N3O/c1-12(2)6-8-19(9-7-13(3)4)16(20)10-15-14(5)17-11-18-15/h11-13H,6-10H2,1-5H3,(H,17,18)
InChIKeyQXNQDACAKOTZFN-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.18
Rot. Bonds8

About N,N-bis(3-methylbutyl)-2-(5-methyl-1H-imidazol-4-yl)acetamide

N,N-bis(3-methylbutyl)-2-(5-methyl-1H-imidazol-4-yl)acetamide (PubChem CID 166218096) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N,N-bis(3-methylbutyl)-2-(5-methyl-1H-imidazol-4-yl)acetamide.

Molecular Properties

Compound NameN,N-bis(3-methylbutyl)-2-(5-methyl-1H-imidazol-4-yl)acetamide
PubChem CID166218096
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN,N-bis(3-methylbutyl)-2-(5-methyl-1H-imidazol-4-yl)acetamide
SMILESCc1[nH]cnc1CC(=O)N(CCC(C)C)CCC(C)C
InChIInChI=1S/C16H29N3O/c1-12(2)6-8-19(9-7-13(3)4)16(20)10-15-14(5)17-11-18-15/h11-13H,6-10H2,1-5H3,(H,17,18)
InChIKeyQXNQDACAKOTZFN-UHFFFAOYSA-N
XLogP3.18
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(3-methylbutyl)-2-(5-methyl-1H-imidazol-4-yl)acetamide?
The IUPAC name of N,N-bis(3-methylbutyl)-2-(5-methyl-1H-imidazol-4-yl)acetamide (CID 166218096) is N,N-bis(3-methylbutyl)-2-(5-methyl-1H-imidazol-4-yl)acetamide.
What is the SMILES notation for N,N-bis(3-methylbutyl)-2-(5-methyl-1H-imidazol-4-yl)acetamide?
The canonical SMILES for N,N-bis(3-methylbutyl)-2-(5-methyl-1H-imidazol-4-yl)acetamide is Cc1[nH]cnc1CC(=O)N(CCC(C)C)CCC(C)C.
What is the InChIKey of N,N-bis(3-methylbutyl)-2-(5-methyl-1H-imidazol-4-yl)acetamide?
The InChIKey is QXNQDACAKOTZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-12(2)6-8-19(9-7-13(3)4)16(20)10-15-14(5)17-11-18-15/h11-13H,6-10H2,1-5H3,(H,17,18).
What are the key properties of N,N-bis(3-methylbutyl)-2-(5-methyl-1H-imidazol-4-yl)acetamide?
N,N-bis(3-methylbutyl)-2-(5-methyl-1H-imidazol-4-yl)acetamide has a molecular weight of 279.43 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3-methylbutyl)-2-(5-methyl-1H-imidazol-4-yl)acetamide is sourced from PubChem (CID 166218096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).