N-(1,3-dihydroxypropan-2-yl)-2-ethylhexanamide

C11H23NO3 — CID 65314993

IUPACN-(1,3-dihydroxypropan-2-yl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)NC(CO)CO
InChIInChI=1S/C11H23NO3/c1-3-5-6-9(4-2)11(15)12-10(7-13)8-14/h9-10,13-14H,3-8H2,1-2H3,(H,12,15)
InChIKeyQYWXRSPIFORYKC-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.67
Rot. Bonds8

About N-(1,3-dihydroxypropan-2-yl)-2-ethylhexanamide

N-(1,3-dihydroxypropan-2-yl)-2-ethylhexanamide (PubChem CID 65314993) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-2-ethylhexanamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-2-ethylhexanamide
PubChem CID65314993
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)NC(CO)CO
InChIInChI=1S/C11H23NO3/c1-3-5-6-9(4-2)11(15)12-10(7-13)8-14/h9-10,13-14H,3-8H2,1-2H3,(H,12,15)
InChIKeyQYWXRSPIFORYKC-UHFFFAOYSA-N
XLogP0.67
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2-ethylhexanamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2-ethylhexanamide (CID 65314993) is N-(1,3-dihydroxypropan-2-yl)-2-ethylhexanamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-2-ethylhexanamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-2-ethylhexanamide is CCCCC(CC)C(=O)NC(CO)CO.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-2-ethylhexanamide?
The InChIKey is QYWXRSPIFORYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-3-5-6-9(4-2)11(15)12-10(7-13)8-14/h9-10,13-14H,3-8H2,1-2H3,(H,12,15).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-2-ethylhexanamide?
N-(1,3-dihydroxypropan-2-yl)-2-ethylhexanamide has a molecular weight of 217.31 g/mol, XLogP of 0.67, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)-2-ethylhexanamide is sourced from PubChem (CID 65314993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).