N-butyl-N'-pentylpropanediamide

C12H24N2O2 — CID 89202031

IUPACN-butyl-N'-pentylpropanediamide
SMILESCCCCCNC(=O)CC(=O)NCCCC
InChIInChI=1S/C12H24N2O2/c1-3-5-7-9-14-12(16)10-11(15)13-8-6-4-2/h3-10H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyCLCRCIROOHFCID-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.60
Rot. Bonds9

About N-butyl-N'-pentylpropanediamide

N-butyl-N'-pentylpropanediamide (PubChem CID 89202031) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-butyl-N'-pentylpropanediamide.

Molecular Properties

Compound NameN-butyl-N'-pentylpropanediamide
PubChem CID89202031
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-butyl-N'-pentylpropanediamide
SMILESCCCCCNC(=O)CC(=O)NCCCC
InChIInChI=1S/C12H24N2O2/c1-3-5-7-9-14-12(16)10-11(15)13-8-6-4-2/h3-10H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyCLCRCIROOHFCID-UHFFFAOYSA-N
XLogP1.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-pentyl-2-(pentylamino)acetamide
CID 109005932
N'-(3-acetamidopropyl)-N-butylpropanediamide
CID 59843703
N-butyl-3-oxobutanamide
CID 5161533
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N'-heptyl-N-hexylpentanediamide
CID 154688669
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-tetradecylpentanamide
CID 87172595
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-pentylpropanediamide?
The IUPAC name of N-butyl-N'-pentylpropanediamide (CID 89202031) is N-butyl-N'-pentylpropanediamide.
What is the SMILES notation for N-butyl-N'-pentylpropanediamide?
The canonical SMILES for N-butyl-N'-pentylpropanediamide is CCCCCNC(=O)CC(=O)NCCCC.
What is the InChIKey of N-butyl-N'-pentylpropanediamide?
The InChIKey is CLCRCIROOHFCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-5-7-9-14-12(16)10-11(15)13-8-6-4-2/h3-10H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N-butyl-N'-pentylpropanediamide?
N-butyl-N'-pentylpropanediamide has a molecular weight of 228.34 g/mol, XLogP of 1.60, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-pentylpropanediamide is sourced from PubChem (CID 89202031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).