N-propyl-2-(propylamino)acetamide

C8H18N2O — CID 23560856

IUPACN-propyl-2-(propylamino)acetamide
SMILESCCCNCC(=O)NCCC
InChIInChI=1S/C8H18N2O/c1-3-5-9-7-8(11)10-6-4-2/h9H,3-7H2,1-2H3,(H,10,11)
InChIKeyQSARLKFZRYMYSR-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.51
Rot. Bonds6

About N-propyl-2-(propylamino)acetamide

N-propyl-2-(propylamino)acetamide (PubChem CID 23560856) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is N-propyl-2-(propylamino)acetamide.

Molecular Properties

Compound NameN-propyl-2-(propylamino)acetamide
PubChem CID23560856
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC NameN-propyl-2-(propylamino)acetamide
SMILESCCCNCC(=O)NCCC
InChIInChI=1S/C8H18N2O/c1-3-5-9-7-8(11)10-6-4-2/h9H,3-7H2,1-2H3,(H,10,11)
InChIKeyQSARLKFZRYMYSR-UHFFFAOYSA-N
XLogP0.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-propyl-2-(propylamino)acetamide?
The IUPAC name of N-propyl-2-(propylamino)acetamide (CID 23560856) is N-propyl-2-(propylamino)acetamide.
What is the SMILES notation for N-propyl-2-(propylamino)acetamide?
The canonical SMILES for N-propyl-2-(propylamino)acetamide is CCCNCC(=O)NCCC.
What is the InChIKey of N-propyl-2-(propylamino)acetamide?
The InChIKey is QSARLKFZRYMYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-3-5-9-7-8(11)10-6-4-2/h9H,3-7H2,1-2H3,(H,10,11).
What are the key properties of N-propyl-2-(propylamino)acetamide?
N-propyl-2-(propylamino)acetamide has a molecular weight of 158.25 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(propylamino)acetamide is sourced from PubChem (CID 23560856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).