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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Related Compounds

6-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylheptanamide
CID 107221399
(2R)-2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)butanamide
CID 106188743
(2R)-2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-3,3-dimethylbutanamide
CID 106188319
N-(1,3-dihydroxypropan-2-yl)-2-methylhexanamide
CID 154697432
(2S)-4-(3-fluorophenyl)-N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]-2-methylbutanamide
CID 124848839
2-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)-3-methylbutanamide
CID 106186138
6-amino-2-methyl-N-(4-methylpentan-2-yl)heptanamide
CID 65292557
6-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-methylheptanamide
CID 65290404
6-amino-N-(dicyclopropylmethyl)-2-methylheptanamide
CID 65291779
(2S,6S)-6-amino-2-methylheptanoic acid
CID 93493350
6-amino-2-methyl-N-prop-2-ynylheptanamide
CID 65292646
6-amino-N-(4-hydroxybutyl)-2-methylheptanamide
CID 106841939

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).