4-hydroxy-N,N-di(propan-2-yl)heptanamide

C13H27NO2 — CID 86044759

IUPAC4-hydroxy-N,N-di(propan-2-yl)heptanamide
SMILESCCCC(O)CCC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C13H27NO2/c1-6-7-12(15)8-9-13(16)14(10(2)3)11(4)5/h10-12,15H,6-9H2,1-5H3
InChIKeyPKZXYVBYOXLROW-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.57
Rot. Bonds7

About 4-hydroxy-N,N-di(propan-2-yl)heptanamide

4-hydroxy-N,N-di(propan-2-yl)heptanamide (PubChem CID 86044759) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 4-hydroxy-N,N-di(propan-2-yl)heptanamide.

Molecular Properties

Compound Name4-hydroxy-N,N-di(propan-2-yl)heptanamide
PubChem CID86044759
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name4-hydroxy-N,N-di(propan-2-yl)heptanamide
SMILESCCCC(O)CCC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C13H27NO2/c1-6-7-12(15)8-9-13(16)14(10(2)3)11(4)5/h10-12,15H,6-9H2,1-5H3
InChIKeyPKZXYVBYOXLROW-UHFFFAOYSA-N
XLogP2.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N,N-di(propan-2-yl)heptanamide?
The IUPAC name of 4-hydroxy-N,N-di(propan-2-yl)heptanamide (CID 86044759) is 4-hydroxy-N,N-di(propan-2-yl)heptanamide.
What is the SMILES notation for 4-hydroxy-N,N-di(propan-2-yl)heptanamide?
The canonical SMILES for 4-hydroxy-N,N-di(propan-2-yl)heptanamide is CCCC(O)CCC(=O)N(C(C)C)C(C)C.
What is the InChIKey of 4-hydroxy-N,N-di(propan-2-yl)heptanamide?
The InChIKey is PKZXYVBYOXLROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-6-7-12(15)8-9-13(16)14(10(2)3)11(4)5/h10-12,15H,6-9H2,1-5H3.
What are the key properties of 4-hydroxy-N,N-di(propan-2-yl)heptanamide?
4-hydroxy-N,N-di(propan-2-yl)heptanamide has a molecular weight of 229.36 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N,N-di(propan-2-yl)heptanamide is sourced from PubChem (CID 86044759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).