ethane;6-(hydroxymethyl)-N-methyl-7-propan-2-yloxyheptanamide

C14H31NO3 — CID 168894823

IUPACethane;6-(hydroxymethyl)-N-methyl-7-propan-2-yloxyheptanamide
SMILESCC.CNC(=O)CCCCC(CO)COC(C)C
InChIInChI=1S/C12H25NO3.C2H6/c1-10(2)16-9-11(8-14)6-4-5-7-12(15)13-3;1-2/h10-11,14H,4-9H2,1-3H3,(H,13,15);1-2H3
InChIKeyNBPLRYIAMXVVSP-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.35
Rot. Bonds9

About ethane;6-(hydroxymethyl)-N-methyl-7-propan-2-yloxyheptanamide

ethane;6-(hydroxymethyl)-N-methyl-7-propan-2-yloxyheptanamide (PubChem CID 168894823) has the molecular formula C14H31NO3 and a molecular weight of 261.41 g/mol. Its IUPAC name is ethane;6-(hydroxymethyl)-N-methyl-7-propan-2-yloxyheptanamide.

Molecular Properties

Compound Nameethane;6-(hydroxymethyl)-N-methyl-7-propan-2-yloxyheptanamide
PubChem CID168894823
Molecular FormulaC14H31NO3
Molecular Weight261.41 g/mol
Exact Mass261.23
IUPAC Nameethane;6-(hydroxymethyl)-N-methyl-7-propan-2-yloxyheptanamide
SMILESCC.CNC(=O)CCCCC(CO)COC(C)C
InChIInChI=1S/C12H25NO3.C2H6/c1-10(2)16-9-11(8-14)6-4-5-7-12(15)13-3;1-2/h10-11,14H,4-9H2,1-3H3,(H,13,15);1-2H3
InChIKeyNBPLRYIAMXVVSP-UHFFFAOYSA-N
XLogP2.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-(hydroxymethyl)-6-propan-2-yloxyhexyl]-N'-propan-2-ylpentanediamide
CID 176805353
N,7-dimethyloctanamide;molecular hydrogen
CID 164603110
[2-(hydroxymethyl)-6-[[5-(methylamino)-5-oxopentanoyl]amino]hexyl] dimethyl phosphate
CID 168888387
2-(propan-2-yloxymethyl)pentan-1-ol
CID 123951755
N-methyl-5-(2-propan-2-yloxyethylamino)pentanamide
CID 146243882
N,N'-dimethylheptanediamide
CID 15166696
5-bromo-N-methylpentanamide
CID 19971018
8-methyl-N-(3-propan-2-yloxypropyl)nonanamide
CID 147959666
ethane;N-methyltetradecanamide
CID 153349961
ethane;7-methoxy-N-methylheptanamide
CID 142389980
N-(1-hydroxypropan-2-yl)-18-methylnonadecanamide
CID 18431763
N,11-dimethyl-3-nonylicosanamide;ethane;methane
CID 156743753

Frequently Asked Questions

What is the IUPAC name of ethane;6-(hydroxymethyl)-N-methyl-7-propan-2-yloxyheptanamide?
The IUPAC name of ethane;6-(hydroxymethyl)-N-methyl-7-propan-2-yloxyheptanamide (CID 168894823) is ethane;6-(hydroxymethyl)-N-methyl-7-propan-2-yloxyheptanamide.
What is the SMILES notation for ethane;6-(hydroxymethyl)-N-methyl-7-propan-2-yloxyheptanamide?
The canonical SMILES for ethane;6-(hydroxymethyl)-N-methyl-7-propan-2-yloxyheptanamide is CC.CNC(=O)CCCCC(CO)COC(C)C.
What is the InChIKey of ethane;6-(hydroxymethyl)-N-methyl-7-propan-2-yloxyheptanamide?
The InChIKey is NBPLRYIAMXVVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3.C2H6/c1-10(2)16-9-11(8-14)6-4-5-7-12(15)13-3;1-2/h10-11,14H,4-9H2,1-3H3,(H,13,15);1-2H3.
What are the key properties of ethane;6-(hydroxymethyl)-N-methyl-7-propan-2-yloxyheptanamide?
ethane;6-(hydroxymethyl)-N-methyl-7-propan-2-yloxyheptanamide has a molecular weight of 261.41 g/mol, XLogP of 2.35, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-(hydroxymethyl)-N-methyl-7-propan-2-yloxyheptanamide is sourced from PubChem (CID 168894823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).