N,N-dihexyl-2-methylpropanamide

C16H33NO — CID 532799

IUPACN,N-dihexyl-2-methylpropanamide
SMILESCCCCCCN(CCCCCC)C(=O)C(C)C
InChIInChI=1S/C16H33NO/c1-5-7-9-11-13-17(16(18)15(3)4)14-12-10-8-6-2/h15H,5-14H2,1-4H3
InChIKeyDNDXYYRWIVBWAP-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.63
Rot. Bonds11

About N,N-dihexyl-2-methylpropanamide

N,N-dihexyl-2-methylpropanamide (PubChem CID 532799) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is N,N-dihexyl-2-methylpropanamide.

Molecular Properties

Compound NameN,N-dihexyl-2-methylpropanamide
PubChem CID532799
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC NameN,N-dihexyl-2-methylpropanamide
SMILESCCCCCCN(CCCCCC)C(=O)C(C)C
InChIInChI=1S/C16H33NO/c1-5-7-9-11-13-17(16(18)15(3)4)14-12-10-8-6-2/h15H,5-14H2,1-4H3
InChIKeyDNDXYYRWIVBWAP-UHFFFAOYSA-N
XLogP4.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.63
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-dihexyl-2-methylpropanamide?
The IUPAC name of N,N-dihexyl-2-methylpropanamide (CID 532799) is N,N-dihexyl-2-methylpropanamide.
What is the SMILES notation for N,N-dihexyl-2-methylpropanamide?
The canonical SMILES for N,N-dihexyl-2-methylpropanamide is CCCCCCN(CCCCCC)C(=O)C(C)C.
What is the InChIKey of N,N-dihexyl-2-methylpropanamide?
The InChIKey is DNDXYYRWIVBWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-5-7-9-11-13-17(16(18)15(3)4)14-12-10-8-6-2/h15H,5-14H2,1-4H3.
What are the key properties of N,N-dihexyl-2-methylpropanamide?
N,N-dihexyl-2-methylpropanamide has a molecular weight of 255.45 g/mol, XLogP of 4.63, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihexyl-2-methylpropanamide is sourced from PubChem (CID 532799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).