N,N-dihexylhexanamide

C18H37NO — CID 3606987

IUPACN,N-dihexylhexanamide
SMILESCCCCCCN(CCCCCC)C(=O)CCCCC
InChIInChI=1S/C18H37NO/c1-4-7-10-13-16-19(17-14-11-8-5-2)18(20)15-12-9-6-3/h4-17H2,1-3H3
InChIKeyPTNKBMIGCUULJJ-UHFFFAOYSA-N
MW283.50 g/mol
LogP5.56
Rot. Bonds14

About N,N-dihexylhexanamide

N,N-dihexylhexanamide (PubChem CID 3606987) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is N,N-dihexylhexanamide.

Molecular Properties

Compound NameN,N-dihexylhexanamide
PubChem CID3606987
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC NameN,N-dihexylhexanamide
SMILESCCCCCCN(CCCCCC)C(=O)CCCCC
InChIInChI=1S/C18H37NO/c1-4-7-10-13-16-19(17-14-11-8-5-2)18(20)15-12-9-6-3/h4-17H2,1-3H3
InChIKeyPTNKBMIGCUULJJ-UHFFFAOYSA-N
XLogP5.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.50
LogP ≤ 55.56
H-Bond Donors ≤ 50
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,N-dihexylhexanamide?
The IUPAC name of N,N-dihexylhexanamide (CID 3606987) is N,N-dihexylhexanamide.
What is the SMILES notation for N,N-dihexylhexanamide?
The canonical SMILES for N,N-dihexylhexanamide is CCCCCCN(CCCCCC)C(=O)CCCCC.
What is the InChIKey of N,N-dihexylhexanamide?
The InChIKey is PTNKBMIGCUULJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-4-7-10-13-16-19(17-14-11-8-5-2)18(20)15-12-9-6-3/h4-17H2,1-3H3.
What are the key properties of N,N-dihexylhexanamide?
N,N-dihexylhexanamide has a molecular weight of 283.50 g/mol, XLogP of 5.56, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihexylhexanamide is sourced from PubChem (CID 3606987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).