N-[(2S)-1-[[(2R)-3,3-dimethylbutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-1-methylimidazole-2-carboxamide

C17H30N4O2 — CID 58012738

IUPACN-[(2S)-1-[[(2R)-3,3-dimethylbutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-1-methylimidazole-2-carboxamide
SMILESC[C@@H](NC(=O)[C@@H](NC(=O)c1nccn1C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H30N4O2/c1-11(16(2,3)4)19-14(22)12(17(5,6)7)20-15(23)13-18-9-10-21(13)8/h9-12H,1-8H3,(H,19,22)(H,20,23)/t11-,12-/m1/s1
InChIKeyUAWJGSFDMVGHMR-VXGBXAGGSA-N
MW322.45 g/mol
LogP2.12
Rot. Bonds4

About N-[(2S)-1-[[(2R)-3,3-dimethylbutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-1-methylimidazole-2-carboxamide

N-[(2S)-1-[[(2R)-3,3-dimethylbutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-1-methylimidazole-2-carboxamide (PubChem CID 58012738) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[(2S)-1-[[(2R)-3,3-dimethylbutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(2R)-3,3-dimethylbutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-1-methylimidazole-2-carboxamide
PubChem CID58012738
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC NameN-[(2S)-1-[[(2R)-3,3-dimethylbutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-1-methylimidazole-2-carboxamide
SMILESC[C@@H](NC(=O)[C@@H](NC(=O)c1nccn1C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H30N4O2/c1-11(16(2,3)4)19-14(22)12(17(5,6)7)20-15(23)13-18-9-10-21(13)8/h9-12H,1-8H3,(H,19,22)(H,20,23)/t11-,12-/m1/s1
InChIKeyUAWJGSFDMVGHMR-VXGBXAGGSA-N
XLogP2.12
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(2R)-3,3-dimethylbutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-1-methylimidazole-2-carboxamide?
The IUPAC name of N-[(2S)-1-[[(2R)-3,3-dimethylbutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-1-methylimidazole-2-carboxamide (CID 58012738) is N-[(2S)-1-[[(2R)-3,3-dimethylbutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-1-methylimidazole-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[(2R)-3,3-dimethylbutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-1-methylimidazole-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[[(2R)-3,3-dimethylbutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-1-methylimidazole-2-carboxamide is C[C@@H](NC(=O)[C@@H](NC(=O)c1nccn1C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-[(2S)-1-[[(2R)-3,3-dimethylbutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-1-methylimidazole-2-carboxamide?
The InChIKey is UAWJGSFDMVGHMR-VXGBXAGGSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-11(16(2,3)4)19-14(22)12(17(5,6)7)20-15(23)13-18-9-10-21(13)8/h9-12H,1-8H3,(H,19,22)(H,20,23)/t11-,12-/m1/s1.
What are the key properties of N-[(2S)-1-[[(2R)-3,3-dimethylbutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-1-methylimidazole-2-carboxamide?
N-[(2S)-1-[[(2R)-3,3-dimethylbutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-1-methylimidazole-2-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(2R)-3,3-dimethylbutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 58012738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).