2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide

C14H26N4O — CID 43695409

IUPAC2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide
SMILESCC(C)C(N)C(=O)NC(Cn1ccnc1)C(C)(C)C
InChIInChI=1S/C14H26N4O/c1-10(2)12(15)13(19)17-11(14(3,4)5)8-18-7-6-16-9-18/h6-7,9-12H,8,15H2,1-5H3,(H,17,19)
InChIKeyFBZNWSDBEUFJSE-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.40
Rot. Bonds5

About 2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide

2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide (PubChem CID 43695409) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide
PubChem CID43695409
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide
SMILESCC(C)C(N)C(=O)NC(Cn1ccnc1)C(C)(C)C
InChIInChI=1S/C14H26N4O/c1-10(2)12(15)13(19)17-11(14(3,4)5)8-18-7-6-16-9-18/h6-7,9-12H,8,15H2,1-5H3,(H,17,19)
InChIKeyFBZNWSDBEUFJSE-UHFFFAOYSA-N
XLogP1.40
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylpentanamide
CID 61155448
4-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide
CID 81075326
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
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)-2-methoxy-2-methylpropanamide
CID 103028936
3-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)amino]-2-methylbutan-2-ol
CID 65337512
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4-(methylamino)butanamide
CID 60843290
2-ethoxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide
CID 63001421
2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide
CID 43695457
4-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)oxolane-3-carboxamide
CID 66240017
(2S)-2-amino-N-[2-(2-imidazol-1-ylethylamino)-2-oxoethyl]-3-methylbutanamide
CID 82962087

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide?
The IUPAC name of 2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide (CID 43695409) is 2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide?
The canonical SMILES for 2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide is CC(C)C(N)C(=O)NC(Cn1ccnc1)C(C)(C)C.
What is the InChIKey of 2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide?
The InChIKey is FBZNWSDBEUFJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-10(2)12(15)13(19)17-11(14(3,4)5)8-18-7-6-16-9-18/h6-7,9-12H,8,15H2,1-5H3,(H,17,19).
What are the key properties of 2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide?
2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide has a molecular weight of 266.39 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide is sourced from PubChem (CID 43695409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).