N-(2-methylpropyl)pentanamide

C9H19NO — CID 528622

IUPACN-(2-methylpropyl)pentanamide
SMILESCCCCC(=O)NCC(C)C
InChIInChI=1S/C9H19NO/c1-4-5-6-9(11)10-7-8(2)3/h8H,4-7H2,1-3H3,(H,10,11)
InChIKeyLTGAVKFWROZLPO-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.95
Rot. Bonds5

About N-(2-methylpropyl)pentanamide

N-(2-methylpropyl)pentanamide (PubChem CID 528622) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-(2-methylpropyl)pentanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)pentanamide
PubChem CID528622
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-(2-methylpropyl)pentanamide
SMILESCCCCC(=O)NCC(C)C
InChIInChI=1S/C9H19NO/c1-4-5-6-9(11)10-7-8(2)3/h8H,4-7H2,1-3H3,(H,10,11)
InChIKeyLTGAVKFWROZLPO-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)pentanamide?
The IUPAC name of N-(2-methylpropyl)pentanamide (CID 528622) is N-(2-methylpropyl)pentanamide.
What is the SMILES notation for N-(2-methylpropyl)pentanamide?
The canonical SMILES for N-(2-methylpropyl)pentanamide is CCCCC(=O)NCC(C)C.
What is the InChIKey of N-(2-methylpropyl)pentanamide?
The InChIKey is LTGAVKFWROZLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-5-6-9(11)10-7-8(2)3/h8H,4-7H2,1-3H3,(H,10,11).
What are the key properties of N-(2-methylpropyl)pentanamide?
N-(2-methylpropyl)pentanamide has a molecular weight of 157.26 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)pentanamide is sourced from PubChem (CID 528622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).