tert-butyl N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamate

C14H25N3O2 — CID 65142849

IUPACtert-butyl N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamate
SMILESCC(C)(C)OC(=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)19-14(4,5)6/h7-8,10-11H,9H2,1-6H3,(H,16,18)
InChIKeyVTIUFLJZXMIIST-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.82
Rot. Bonds3

About tert-butyl N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamate

tert-butyl N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamate (PubChem CID 65142849) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is tert-butyl N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamate
PubChem CID65142849
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Nametert-butyl N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamate
SMILESCC(C)(C)OC(=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)19-14(4,5)6/h7-8,10-11H,9H2,1-6H3,(H,16,18)
InChIKeyVTIUFLJZXMIIST-UHFFFAOYSA-N
XLogP2.82
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)amino]propyl]carbamate
CID 103821872
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methoxy-2-methylpropanamide
CID 103028936
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
methyl 2-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)amino]propanoate
CID 66173138
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4-(methylamino)butanamide
CID 60843290
4-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide
CID 81075326
tert-butyl N-[(2R,3R)-3-hydroxy-4-imidazol-1-yl-1-phenylbutan-2-yl]carbamate
CID 66703721
1-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(4-methoxyphenyl)urea
CID 93233544
N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-4-(methoxymethyl)benzamide
CID 95050216
2-(cyclopentylamino)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide
CID 60846927

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamate (CID 65142849) is tert-butyl N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamate is CC(C)(C)OC(=O)NC(Cn1ccnc1)C(C)(C)C.
What is the InChIKey of tert-butyl N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamate?
The InChIKey is VTIUFLJZXMIIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-13(2,3)11(9-17-8-7-15-10-17)16-12(18)19-14(4,5)6/h7-8,10-11H,9H2,1-6H3,(H,16,18).
What are the key properties of tert-butyl N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamate?
tert-butyl N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamate has a molecular weight of 267.37 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamate is sourced from PubChem (CID 65142849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).