6-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-methylheptanamide

C12H26N2O3 — CID 106188485

IUPAC6-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-methylheptanamide
SMILESCOCC(CO)NC(=O)C(C)CCCC(C)N
InChIInChI=1S/C12H26N2O3/c1-9(5-4-6-10(2)13)12(16)14-11(7-15)8-17-3/h9-11,15H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyOBRPXBFXGLLSTQ-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.26
Rot. Bonds9

About 6-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-methylheptanamide

6-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-methylheptanamide (PubChem CID 106188485) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 6-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-methylheptanamide.

Molecular Properties

Compound Name6-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-methylheptanamide
PubChem CID106188485
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name6-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-methylheptanamide
SMILESCOCC(CO)NC(=O)C(C)CCCC(C)N
InChIInChI=1S/C12H26N2O3/c1-9(5-4-6-10(2)13)12(16)14-11(7-15)8-17-3/h9-11,15H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyOBRPXBFXGLLSTQ-UHFFFAOYSA-N
XLogP0.26
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-methylheptanamide?
The IUPAC name of 6-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-methylheptanamide (CID 106188485) is 6-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-methylheptanamide.
What is the SMILES notation for 6-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-methylheptanamide?
The canonical SMILES for 6-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-methylheptanamide is COCC(CO)NC(=O)C(C)CCCC(C)N.
What is the InChIKey of 6-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-methylheptanamide?
The InChIKey is OBRPXBFXGLLSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-9(5-4-6-10(2)13)12(16)14-11(7-15)8-17-3/h9-11,15H,4-8,13H2,1-3H3,(H,14,16).
What are the key properties of 6-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-methylheptanamide?
6-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-methylheptanamide has a molecular weight of 246.35 g/mol, XLogP of 0.26, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-methylheptanamide is sourced from PubChem (CID 106188485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).