ethane;4-hydroxy-N,N-di(propan-2-yl)pentanamide

C13H29NO2 — CID 123902695

IUPACethane;4-hydroxy-N,N-di(propan-2-yl)pentanamide
SMILESCC.CC(O)CCC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C11H23NO2.C2H6/c1-8(2)12(9(3)4)11(14)7-6-10(5)13;1-2/h8-10,13H,6-7H2,1-5H3;1-2H3
InChIKeyXVYAMNVCJGRSLH-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.82
Rot. Bonds5

About ethane;4-hydroxy-N,N-di(propan-2-yl)pentanamide

ethane;4-hydroxy-N,N-di(propan-2-yl)pentanamide (PubChem CID 123902695) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is ethane;4-hydroxy-N,N-di(propan-2-yl)pentanamide.

Molecular Properties

Compound Nameethane;4-hydroxy-N,N-di(propan-2-yl)pentanamide
PubChem CID123902695
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Nameethane;4-hydroxy-N,N-di(propan-2-yl)pentanamide
SMILESCC.CC(O)CCC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C11H23NO2.C2H6/c1-8(2)12(9(3)4)11(14)7-6-10(5)13;1-2/h8-10,13H,6-7H2,1-5H3;1-2H3
InChIKeyXVYAMNVCJGRSLH-UHFFFAOYSA-N
XLogP2.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-hydroxy-N,N-di(propan-2-yl)pentanamide?
The IUPAC name of ethane;4-hydroxy-N,N-di(propan-2-yl)pentanamide (CID 123902695) is ethane;4-hydroxy-N,N-di(propan-2-yl)pentanamide.
What is the SMILES notation for ethane;4-hydroxy-N,N-di(propan-2-yl)pentanamide?
The canonical SMILES for ethane;4-hydroxy-N,N-di(propan-2-yl)pentanamide is CC.CC(O)CCC(=O)N(C(C)C)C(C)C.
What is the InChIKey of ethane;4-hydroxy-N,N-di(propan-2-yl)pentanamide?
The InChIKey is XVYAMNVCJGRSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2.C2H6/c1-8(2)12(9(3)4)11(14)7-6-10(5)13;1-2/h8-10,13H,6-7H2,1-5H3;1-2H3.
What are the key properties of ethane;4-hydroxy-N,N-di(propan-2-yl)pentanamide?
ethane;4-hydroxy-N,N-di(propan-2-yl)pentanamide has a molecular weight of 231.38 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-hydroxy-N,N-di(propan-2-yl)pentanamide is sourced from PubChem (CID 123902695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).