1-(1H-imidazol-5-yl)-4,4-dimethyl-2-[(2-methyl-3-oxobutan-2-yl)amino]hexan-3-one

C16H27N3O2 — CID 122629693

IUPAC1-(1H-imidazol-5-yl)-4,4-dimethyl-2-[(2-methyl-3-oxobutan-2-yl)amino]hexan-3-one
SMILESCCC(C)(C)C(=O)C(Cc1cnc[nH]1)NC(C)(C)C(C)=O
InChIInChI=1S/C16H27N3O2/c1-7-15(3,4)14(21)13(8-12-9-17-10-18-12)19-16(5,6)11(2)20/h9-10,13,19H,7-8H2,1-6H3,(H,17,18)
InChIKeyLZBZCUKIFLMPLH-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.28
Rot. Bonds8

About 1-(1H-imidazol-5-yl)-4,4-dimethyl-2-[(2-methyl-3-oxobutan-2-yl)amino]hexan-3-one

1-(1H-imidazol-5-yl)-4,4-dimethyl-2-[(2-methyl-3-oxobutan-2-yl)amino]hexan-3-one (PubChem CID 122629693) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(1H-imidazol-5-yl)-4,4-dimethyl-2-[(2-methyl-3-oxobutan-2-yl)amino]hexan-3-one.

Molecular Properties

Compound Name1-(1H-imidazol-5-yl)-4,4-dimethyl-2-[(2-methyl-3-oxobutan-2-yl)amino]hexan-3-one
PubChem CID122629693
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-(1H-imidazol-5-yl)-4,4-dimethyl-2-[(2-methyl-3-oxobutan-2-yl)amino]hexan-3-one
SMILESCCC(C)(C)C(=O)C(Cc1cnc[nH]1)NC(C)(C)C(C)=O
InChIInChI=1S/C16H27N3O2/c1-7-15(3,4)14(21)13(8-12-9-17-10-18-12)19-16(5,6)11(2)20/h9-10,13,19H,7-8H2,1-6H3,(H,17,18)
InChIKeyLZBZCUKIFLMPLH-UHFFFAOYSA-N
XLogP2.28
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1H-imidazol-5-yl)-4,4-dimethyl-2-[(2-methyl-3-oxobutan-2-yl)amino]hexan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(tert-butylamino)-1-(1H-imidazol-5-yl)-4,4-dimethylpentan-3-one
CID 59834188
4-(1H-imidazol-5-yl)-3-(iodoamino)butan-2-one
CID 152954292
3-(1H-imidazol-5-yl)-2-(3-methylpentan-3-ylcarbamoylamino)propanoic acid
CID 106330520
4-(1H-imidazol-5-ylmethyl)-2,2-dimethylhexan-3-one
CID 59395904
2-acetamido-3-(1H-imidazol-5-yl)propanoate
CID 23278346
(2R)-2-(ethylsulfonylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 30053681
(2S)-2-(ethylcarbamoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 61188865
2-[(2-amino-2-ethylbutanoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 103869361
5-[[1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]amino]-2,2-dimethyl-5-oxopentanoic acid
CID 123583527
(2S)-2-[(2-hydroxy-2-methylpropyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 178181329
methyl (2S)-2-(tert-butylcarbamoylamino)-3-(1H-imidazol-5-yl)propanoate
CID 107876554
(2S)-3-(1H-imidazol-5-yl)-2-(methylamino)propanoic acid;hydrochloride
CID 18611837

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-yl)-4,4-dimethyl-2-[(2-methyl-3-oxobutan-2-yl)amino]hexan-3-one?
The IUPAC name of 1-(1H-imidazol-5-yl)-4,4-dimethyl-2-[(2-methyl-3-oxobutan-2-yl)amino]hexan-3-one (CID 122629693) is 1-(1H-imidazol-5-yl)-4,4-dimethyl-2-[(2-methyl-3-oxobutan-2-yl)amino]hexan-3-one.
What is the SMILES notation for 1-(1H-imidazol-5-yl)-4,4-dimethyl-2-[(2-methyl-3-oxobutan-2-yl)amino]hexan-3-one?
The canonical SMILES for 1-(1H-imidazol-5-yl)-4,4-dimethyl-2-[(2-methyl-3-oxobutan-2-yl)amino]hexan-3-one is CCC(C)(C)C(=O)C(Cc1cnc[nH]1)NC(C)(C)C(C)=O.
What is the InChIKey of 1-(1H-imidazol-5-yl)-4,4-dimethyl-2-[(2-methyl-3-oxobutan-2-yl)amino]hexan-3-one?
The InChIKey is LZBZCUKIFLMPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-7-15(3,4)14(21)13(8-12-9-17-10-18-12)19-16(5,6)11(2)20/h9-10,13,19H,7-8H2,1-6H3,(H,17,18).
What are the key properties of 1-(1H-imidazol-5-yl)-4,4-dimethyl-2-[(2-methyl-3-oxobutan-2-yl)amino]hexan-3-one?
1-(1H-imidazol-5-yl)-4,4-dimethyl-2-[(2-methyl-3-oxobutan-2-yl)amino]hexan-3-one has a molecular weight of 293.41 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-yl)-4,4-dimethyl-2-[(2-methyl-3-oxobutan-2-yl)amino]hexan-3-one is sourced from PubChem (CID 122629693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).