N'-(3-butoxypropyl)-N-heptylbutanediamide

C18H36N2O3 — CID 5116303

IUPACN'-(3-butoxypropyl)-N-heptylbutanediamide
SMILESCCCCCCCNC(=O)CCC(=O)NCCCOCCCC
InChIInChI=1S/C18H36N2O3/c1-3-5-7-8-9-13-19-17(21)11-12-18(22)20-14-10-16-23-15-6-4-2/h3-16H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyKHBVRVCHIXQEOM-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.18
Rot. Bonds16

About N'-(3-butoxypropyl)-N-heptylbutanediamide

N'-(3-butoxypropyl)-N-heptylbutanediamide (PubChem CID 5116303) has the molecular formula C18H36N2O3 and a molecular weight of 328.50 g/mol. Its IUPAC name is N'-(3-butoxypropyl)-N-heptylbutanediamide.

Molecular Properties

Compound NameN'-(3-butoxypropyl)-N-heptylbutanediamide
PubChem CID5116303
Molecular FormulaC18H36N2O3
Molecular Weight328.50 g/mol
Exact Mass328.27
IUPAC NameN'-(3-butoxypropyl)-N-heptylbutanediamide
SMILESCCCCCCCNC(=O)CCC(=O)NCCCOCCCC
InChIInChI=1S/C18H36N2O3/c1-3-5-7-8-9-13-19-17(21)11-12-18(22)20-14-10-16-23-15-6-4-2/h3-16H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyKHBVRVCHIXQEOM-UHFFFAOYSA-N
XLogP3.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(3-butoxypropyl)-N-butylbutanediamide
CID 4602776
N-[3-(2-aminoethoxy)propyl]dodecanamide
CID 106307810
N-(3-butoxypropyl)-5-hydroxypentanamide
CID 115886729
N-heptyl-N'-(3-propan-2-yloxypropyl)butanediamide
CID 4554473
N-pentylicosanamide
CID 139961886
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-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558

Frequently Asked Questions

What is the IUPAC name of N'-(3-butoxypropyl)-N-heptylbutanediamide?
The IUPAC name of N'-(3-butoxypropyl)-N-heptylbutanediamide (CID 5116303) is N'-(3-butoxypropyl)-N-heptylbutanediamide.
What is the SMILES notation for N'-(3-butoxypropyl)-N-heptylbutanediamide?
The canonical SMILES for N'-(3-butoxypropyl)-N-heptylbutanediamide is CCCCCCCNC(=O)CCC(=O)NCCCOCCCC.
What is the InChIKey of N'-(3-butoxypropyl)-N-heptylbutanediamide?
The InChIKey is KHBVRVCHIXQEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O3/c1-3-5-7-8-9-13-19-17(21)11-12-18(22)20-14-10-16-23-15-6-4-2/h3-16H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-(3-butoxypropyl)-N-heptylbutanediamide?
N'-(3-butoxypropyl)-N-heptylbutanediamide has a molecular weight of 328.50 g/mol, XLogP of 3.18, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-butoxypropyl)-N-heptylbutanediamide is sourced from PubChem (CID 5116303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).