2-tert-butyl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-4,4-dimethylpentanamide;methanol

C16H35NO4 — CID 142810634

IUPAC2-tert-butyl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-4,4-dimethylpentanamide;methanol
SMILESCC(C)(C)CC(C(=O)NC(C)(CO)CO)C(C)(C)C.CO
InChIInChI=1S/C15H31NO3.CH4O/c1-13(2,3)8-11(14(4,5)6)12(19)16-15(7,9-17)10-18;1-2/h11,17-18H,8-10H2,1-7H3,(H,16,19);2H,1H3
InChIKeySCVFCJKHBMQVRS-UHFFFAOYSA-N
MW305.46 g/mol
LogP1.55
Rot. Bonds5

About 2-tert-butyl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-4,4-dimethylpentanamide;methanol

2-tert-butyl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-4,4-dimethylpentanamide;methanol (PubChem CID 142810634) has the molecular formula C16H35NO4 and a molecular weight of 305.46 g/mol. Its IUPAC name is 2-tert-butyl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-4,4-dimethylpentanamide;methanol.

Molecular Properties

Compound Name2-tert-butyl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-4,4-dimethylpentanamide;methanol
PubChem CID142810634
Molecular FormulaC16H35NO4
Molecular Weight305.46 g/mol
Exact Mass305.26
IUPAC Name2-tert-butyl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-4,4-dimethylpentanamide;methanol
SMILESCC(C)(C)CC(C(=O)NC(C)(CO)CO)C(C)(C)C.CO
InChIInChI=1S/C15H31NO3.CH4O/c1-13(2,3)8-11(14(4,5)6)12(19)16-15(7,9-17)10-18;1-2/h11,17-18H,8-10H2,1-7H3,(H,16,19);2H,1H3
InChIKeySCVFCJKHBMQVRS-UHFFFAOYSA-N
XLogP1.55
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 51.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-tert-butyl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-4,4-dimethylpentanamide;methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-4,4-dimethylpentanamide;methanol?
The IUPAC name of 2-tert-butyl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-4,4-dimethylpentanamide;methanol (CID 142810634) is 2-tert-butyl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-4,4-dimethylpentanamide;methanol.
What is the SMILES notation for 2-tert-butyl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-4,4-dimethylpentanamide;methanol?
The canonical SMILES for 2-tert-butyl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-4,4-dimethylpentanamide;methanol is CC(C)(C)CC(C(=O)NC(C)(CO)CO)C(C)(C)C.CO.
What is the InChIKey of 2-tert-butyl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-4,4-dimethylpentanamide;methanol?
The InChIKey is SCVFCJKHBMQVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3.CH4O/c1-13(2,3)8-11(14(4,5)6)12(19)16-15(7,9-17)10-18;1-2/h11,17-18H,8-10H2,1-7H3,(H,16,19);2H,1H3.
What are the key properties of 2-tert-butyl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-4,4-dimethylpentanamide;methanol?
2-tert-butyl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-4,4-dimethylpentanamide;methanol has a molecular weight of 305.46 g/mol, XLogP of 1.55, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-4,4-dimethylpentanamide;methanol is sourced from PubChem (CID 142810634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).