N-[2,6-di(propan-2-yl)phenyl]hexanamide

C18H29NO — CID 22444401

IUPACN-[2,6-di(propan-2-yl)phenyl]hexanamide
SMILESCCCCCC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C18H29NO/c1-6-7-8-12-17(20)19-18-15(13(2)3)10-9-11-16(18)14(4)5/h9-11,13-14H,6-8,12H2,1-5H3,(H,19,20)
InChIKeyGWEZHWDZMRYPOG-UHFFFAOYSA-N
MW275.44 g/mol
LogP5.45
Rot. Bonds7

About N-[2,6-di(propan-2-yl)phenyl]hexanamide

N-[2,6-di(propan-2-yl)phenyl]hexanamide (PubChem CID 22444401) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]hexanamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]hexanamide
PubChem CID22444401
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]hexanamide
SMILESCCCCCC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C18H29NO/c1-6-7-8-12-17(20)19-18-15(13(2)3)10-9-11-16(18)14(4)5/h9-11,13-14H,6-8,12H2,1-5H3,(H,19,20)
InChIKeyGWEZHWDZMRYPOG-UHFFFAOYSA-N
XLogP5.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.44
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]hexanamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]hexanamide (CID 22444401) is N-[2,6-di(propan-2-yl)phenyl]hexanamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]hexanamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]hexanamide is CCCCCC(=O)Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]hexanamide?
The InChIKey is GWEZHWDZMRYPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-6-7-8-12-17(20)19-18-15(13(2)3)10-9-11-16(18)14(4)5/h9-11,13-14H,6-8,12H2,1-5H3,(H,19,20).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]hexanamide?
N-[2,6-di(propan-2-yl)phenyl]hexanamide has a molecular weight of 275.44 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]hexanamide is sourced from PubChem (CID 22444401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).