N-(1-methoxyhexan-2-yl)-2-methyl-3-(methylamino)propanamide

C12H26N2O2 — CID 119795721

IUPACN-(1-methoxyhexan-2-yl)-2-methyl-3-(methylamino)propanamide
SMILESCCCCC(COC)NC(=O)C(C)CNC
InChIInChI=1S/C12H26N2O2/c1-5-6-7-11(9-16-4)14-12(15)10(2)8-13-3/h10-11,13H,5-9H2,1-4H3,(H,14,15)
InChIKeyNSPPPJYNWJHVML-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.16
Rot. Bonds9

About N-(1-methoxyhexan-2-yl)-2-methyl-3-(methylamino)propanamide

N-(1-methoxyhexan-2-yl)-2-methyl-3-(methylamino)propanamide (PubChem CID 119795721) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-(1-methoxyhexan-2-yl)-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-(1-methoxyhexan-2-yl)-2-methyl-3-(methylamino)propanamide
PubChem CID119795721
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN-(1-methoxyhexan-2-yl)-2-methyl-3-(methylamino)propanamide
SMILESCCCCC(COC)NC(=O)C(C)CNC
InChIInChI=1S/C12H26N2O2/c1-5-6-7-11(9-16-4)14-12(15)10(2)8-13-3/h10-11,13H,5-9H2,1-4H3,(H,14,15)
InChIKeyNSPPPJYNWJHVML-UHFFFAOYSA-N
XLogP1.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-amino-N-(1-methoxyhexan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride
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2-(1-methoxyhexan-2-ylamino)-N-methylacetamide
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N-(1,3-dihydroxypropan-2-yl)-2-methylhexanamide
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N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-2-methyl-3-(methylamino)propanamide
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6-(methylamino)-2-(2-methylheptanoylamino)hexanoic acid
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2-(2-ethylhexanoylamino)-3-methoxypropanoic acid
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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxyhexan-2-yl)-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-(1-methoxyhexan-2-yl)-2-methyl-3-(methylamino)propanamide (CID 119795721) is N-(1-methoxyhexan-2-yl)-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-(1-methoxyhexan-2-yl)-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-(1-methoxyhexan-2-yl)-2-methyl-3-(methylamino)propanamide is CCCCC(COC)NC(=O)C(C)CNC.
What is the InChIKey of N-(1-methoxyhexan-2-yl)-2-methyl-3-(methylamino)propanamide?
The InChIKey is NSPPPJYNWJHVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-5-6-7-11(9-16-4)14-12(15)10(2)8-13-3/h10-11,13H,5-9H2,1-4H3,(H,14,15).
What are the key properties of N-(1-methoxyhexan-2-yl)-2-methyl-3-(methylamino)propanamide?
N-(1-methoxyhexan-2-yl)-2-methyl-3-(methylamino)propanamide has a molecular weight of 230.35 g/mol, XLogP of 1.16, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxyhexan-2-yl)-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 119795721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).