N'-(3-methoxypropyl)decanediamide

C14H28N2O3 — CID 89083408

IUPACN'-(3-methoxypropyl)decanediamide
SMILESCOCCCNC(=O)CCCCCCCCC(N)=O
InChIInChI=1S/C14H28N2O3/c1-19-12-8-11-16-14(18)10-7-5-3-2-4-6-9-13(15)17/h2-12H2,1H3,(H2,15,17)(H,16,18)
InChIKeySAGXVIJMXLSUDE-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.75
Rot. Bonds13

About N'-(3-methoxypropyl)decanediamide

N'-(3-methoxypropyl)decanediamide (PubChem CID 89083408) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is N'-(3-methoxypropyl)decanediamide.

Molecular Properties

Compound NameN'-(3-methoxypropyl)decanediamide
PubChem CID89083408
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC NameN'-(3-methoxypropyl)decanediamide
SMILESCOCCCNC(=O)CCCCCCCCC(N)=O
InChIInChI=1S/C14H28N2O3/c1-19-12-8-11-16-14(18)10-7-5-3-2-4-6-9-13(15)17/h2-12H2,1H3,(H2,15,17)(H,16,18)
InChIKeySAGXVIJMXLSUDE-UHFFFAOYSA-N
XLogP1.75
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.75
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

7-amino-N-(3-methoxypropyl)heptanamide
CID 43153320
6-hydroxy-N-(3-methoxypropyl)hexanamide
CID 177359571
5-methoxy-N-(2-methoxyethyl)pentanamide
CID 58281484
6-(hexanoylamino)-N-(7-methoxyheptyl)hexanamide
CID 170966383
N,N'-bis(2-methoxyethyl)hexanediamide
CID 2933923
N-(3-methoxypropyl)-4-sulfanylbutanamide
CID 58311886
3-amino-N-(3-methoxypropyl)propanamide;hydrochloride
CID 56832126
5-(5-methoxypentanoylamino)pentanoic acid
CID 119234359
hexadecanamide;N-octadecyloctadecanamide
CID 174792473
N'-docosyldocosanediamide
CID 91257562
N'-octylhexanediamide
CID 18377759
22-(docosanoylamino)docosanamide
CID 90926402

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxypropyl)decanediamide?
The IUPAC name of N'-(3-methoxypropyl)decanediamide (CID 89083408) is N'-(3-methoxypropyl)decanediamide.
What is the SMILES notation for N'-(3-methoxypropyl)decanediamide?
The canonical SMILES for N'-(3-methoxypropyl)decanediamide is COCCCNC(=O)CCCCCCCCC(N)=O.
What is the InChIKey of N'-(3-methoxypropyl)decanediamide?
The InChIKey is SAGXVIJMXLSUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-19-12-8-11-16-14(18)10-7-5-3-2-4-6-9-13(15)17/h2-12H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of N'-(3-methoxypropyl)decanediamide?
N'-(3-methoxypropyl)decanediamide has a molecular weight of 272.39 g/mol, XLogP of 1.75, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxypropyl)decanediamide is sourced from PubChem (CID 89083408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).