N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methoxy-2-methylpropanamide

C14H25N3O2 — CID 103028936

IUPACN-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)NC(Cn1ccnc1)C(C)(C)C
InChIInChI=1S/C14H25N3O2/c1-13(2,3)11(9-17-8-7-15-10-17)16-12(18)14(4,5)19-6/h7-8,10-11H,9H2,1-6H3,(H,16,18)
InChIKeyHSTIRHZOSHUJLU-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.84
Rot. Bonds5

About N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methoxy-2-methylpropanamide

N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methoxy-2-methylpropanamide (PubChem CID 103028936) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methoxy-2-methylpropanamide
PubChem CID103028936
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)NC(Cn1ccnc1)C(C)(C)C
InChIInChI=1S/C14H25N3O2/c1-13(2,3)11(9-17-8-7-15-10-17)16-12(18)14(4,5)19-6/h7-8,10-11H,9H2,1-6H3,(H,16,18)
InChIKeyHSTIRHZOSHUJLU-UHFFFAOYSA-N
XLogP1.84
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamate
CID 65142849
methyl 2-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)amino]propanoate
CID 66173138
2-ethoxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide
CID 63001421
2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide
CID 43695409
(2S,3S)-2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylpentanamide
CID 61155448
1-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(4-methoxyphenyl)urea
CID 93233544
1-amino-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]cyclopropane-1-carboxamide
CID 95557386
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4-(methylamino)butanamide
CID 60843290
N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-4-(methoxymethyl)benzamide
CID 95050216
4-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide
CID 81075326
2-(cyclopentylamino)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide
CID 60846927
1-(4-acetylphenyl)-3-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)urea
CID 72941380

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methoxy-2-methylpropanamide?
The IUPAC name of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methoxy-2-methylpropanamide (CID 103028936) is N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)NC(Cn1ccnc1)C(C)(C)C.
What is the InChIKey of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methoxy-2-methylpropanamide?
The InChIKey is HSTIRHZOSHUJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-13(2,3)11(9-17-8-7-15-10-17)16-12(18)14(4,5)19-6/h7-8,10-11H,9H2,1-6H3,(H,16,18).
What are the key properties of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methoxy-2-methylpropanamide?
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methoxy-2-methylpropanamide has a molecular weight of 267.37 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 103028936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).