N-[[3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide

C15H26N4O3 — CID 162790079

IUPACN-[[3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCC1OCC(NCc2ncc[nH]2)C1O
InChIInChI=1S/C15H26N4O3/c1-15(2,3)6-13(20)19-7-11-14(21)10(9-22-11)18-8-12-16-4-5-17-12/h4-5,10-11,14,18,21H,6-9H2,1-3H3,(H,16,17)(H,19,20)
InChIKeyPRSLNLIIHSMMBC-UHFFFAOYSA-N
MW310.40 g/mol
LogP0.18
Rot. Bonds6

About N-[[3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide

N-[[3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide (PubChem CID 162790079) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[[3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[[3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide
PubChem CID162790079
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC NameN-[[3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCC1OCC(NCc2ncc[nH]2)C1O
InChIInChI=1S/C15H26N4O3/c1-15(2,3)6-13(20)19-7-11-14(21)10(9-22-11)18-8-12-16-4-5-17-12/h4-5,10-11,14,18,21H,6-9H2,1-3H3,(H,16,17)(H,19,20)
InChIKeyPRSLNLIIHSMMBC-UHFFFAOYSA-N
XLogP0.18
TPSA99.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 50.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[[3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide (CID 162790079) is N-[[3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[[3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[[3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NCC1OCC(NCc2ncc[nH]2)C1O.
What is the InChIKey of N-[[3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide?
The InChIKey is PRSLNLIIHSMMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-15(2,3)6-13(20)19-7-11-14(21)10(9-22-11)18-8-12-16-4-5-17-12/h4-5,10-11,14,18,21H,6-9H2,1-3H3,(H,16,17)(H,19,20).
What are the key properties of N-[[3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide?
N-[[3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide has a molecular weight of 310.40 g/mol, XLogP of 0.18, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 162790079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).