N-(1H-imidazol-2-ylmethyl)-N,3,4,4-tetramethylpentanamide

C13H23N3O — CID 63939448

IUPACN-(1H-imidazol-2-ylmethyl)-N,3,4,4-tetramethylpentanamide
SMILESCC(CC(=O)N(C)Cc1ncc[nH]1)C(C)(C)C
InChIInChI=1S/C13H23N3O/c1-10(13(2,3)4)8-12(17)16(5)9-11-14-6-7-15-11/h6-7,10H,8-9H2,1-5H3,(H,14,15)
InChIKeyLOQHCJHYSWUDDL-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.44
Rot. Bonds4

About N-(1H-imidazol-2-ylmethyl)-N,3,4,4-tetramethylpentanamide

N-(1H-imidazol-2-ylmethyl)-N,3,4,4-tetramethylpentanamide (PubChem CID 63939448) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N,3,4,4-tetramethylpentanamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N,3,4,4-tetramethylpentanamide
PubChem CID63939448
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N,3,4,4-tetramethylpentanamide
SMILESCC(CC(=O)N(C)Cc1ncc[nH]1)C(C)(C)C
InChIInChI=1S/C13H23N3O/c1-10(13(2,3)4)8-12(17)16(5)9-11-14-6-7-15-11/h6-7,10H,8-9H2,1-5H3,(H,14,15)
InChIKeyLOQHCJHYSWUDDL-UHFFFAOYSA-N
XLogP2.44
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide
CID 64519617
2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 64511880
N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpropanamide
CID 63929546
2-tert-butylsulfanyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 63939272
2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide
CID 64511881
2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N,3-dimethylbutanamide
CID 64510546
2-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 63940618
N-(1H-imidazol-2-ylmethyl)-N-methylheptanamide
CID 63940803
2-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpropanamide
CID 64519424
N-(2-hydroxyethyl)-N,3,4,4-tetramethylpentanamide
CID 63834183
6-amino-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylheptanamide
CID 65291202
4-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]benzoic acid
CID 64519669

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N,3,4,4-tetramethylpentanamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N,3,4,4-tetramethylpentanamide (CID 63939448) is N-(1H-imidazol-2-ylmethyl)-N,3,4,4-tetramethylpentanamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N,3,4,4-tetramethylpentanamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N,3,4,4-tetramethylpentanamide is CC(CC(=O)N(C)Cc1ncc[nH]1)C(C)(C)C.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N,3,4,4-tetramethylpentanamide?
The InChIKey is LOQHCJHYSWUDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(13(2,3)4)8-12(17)16(5)9-11-14-6-7-15-11/h6-7,10H,8-9H2,1-5H3,(H,14,15).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N,3,4,4-tetramethylpentanamide?
N-(1H-imidazol-2-ylmethyl)-N,3,4,4-tetramethylpentanamide has a molecular weight of 237.35 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N,3,4,4-tetramethylpentanamide is sourced from PubChem (CID 63939448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).