N-propan-2-ylhexanamide

C9H19NO — CID 528620

IUPACN-propan-2-ylhexanamide
SMILESCCCCCC(=O)NC(C)C
InChIInChI=1S/C9H19NO/c1-4-5-6-7-9(11)10-8(2)3/h8H,4-7H2,1-3H3,(H,10,11)
InChIKeyYVMILMYSJMSHNO-UHFFFAOYSA-N
MW157.26 g/mol
LogP2.09
Rot. Bonds5

About N-propan-2-ylhexanamide

N-propan-2-ylhexanamide (PubChem CID 528620) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-propan-2-ylhexanamide.

Molecular Properties

Compound NameN-propan-2-ylhexanamide
PubChem CID528620
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-propan-2-ylhexanamide
SMILESCCCCCC(=O)NC(C)C
InChIInChI=1S/C9H19NO/c1-4-5-6-7-9(11)10-8(2)3/h8H,4-7H2,1-3H3,(H,10,11)
InChIKeyYVMILMYSJMSHNO-UHFFFAOYSA-N
XLogP2.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.09
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-propan-2-ylhexanamide?
The IUPAC name of N-propan-2-ylhexanamide (CID 528620) is N-propan-2-ylhexanamide.
What is the SMILES notation for N-propan-2-ylhexanamide?
The canonical SMILES for N-propan-2-ylhexanamide is CCCCCC(=O)NC(C)C.
What is the InChIKey of N-propan-2-ylhexanamide?
The InChIKey is YVMILMYSJMSHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-5-6-7-9(11)10-8(2)3/h8H,4-7H2,1-3H3,(H,10,11).
What are the key properties of N-propan-2-ylhexanamide?
N-propan-2-ylhexanamide has a molecular weight of 157.26 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylhexanamide is sourced from PubChem (CID 528620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).