N-heptyl-N'-(2-methoxyethyl)butanediamide

C14H28N2O3 — CID 5221406

IUPACN-heptyl-N'-(2-methoxyethyl)butanediamide
SMILESCCCCCCCNC(=O)CCC(=O)NCCOC
InChIInChI=1S/C14H28N2O3/c1-3-4-5-6-7-10-15-13(17)8-9-14(18)16-11-12-19-2/h3-12H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyDAEAMDSENMEVAN-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.62
Rot. Bonds12

About N-heptyl-N'-(2-methoxyethyl)butanediamide

N-heptyl-N'-(2-methoxyethyl)butanediamide (PubChem CID 5221406) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is N-heptyl-N'-(2-methoxyethyl)butanediamide.

Molecular Properties

Compound NameN-heptyl-N'-(2-methoxyethyl)butanediamide
PubChem CID5221406
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC NameN-heptyl-N'-(2-methoxyethyl)butanediamide
SMILESCCCCCCCNC(=O)CCC(=O)NCCOC
InChIInChI=1S/C14H28N2O3/c1-3-4-5-6-7-10-15-13(17)8-9-14(18)16-11-12-19-2/h3-12H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyDAEAMDSENMEVAN-UHFFFAOYSA-N
XLogP1.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-heptyl-N'-(2-methoxyethyl)butanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-heptyl-N'-(2-methoxyethyl)butanediamide?
The IUPAC name of N-heptyl-N'-(2-methoxyethyl)butanediamide (CID 5221406) is N-heptyl-N'-(2-methoxyethyl)butanediamide.
What is the SMILES notation for N-heptyl-N'-(2-methoxyethyl)butanediamide?
The canonical SMILES for N-heptyl-N'-(2-methoxyethyl)butanediamide is CCCCCCCNC(=O)CCC(=O)NCCOC.
What is the InChIKey of N-heptyl-N'-(2-methoxyethyl)butanediamide?
The InChIKey is DAEAMDSENMEVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-3-4-5-6-7-10-15-13(17)8-9-14(18)16-11-12-19-2/h3-12H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-heptyl-N'-(2-methoxyethyl)butanediamide?
N-heptyl-N'-(2-methoxyethyl)butanediamide has a molecular weight of 272.39 g/mol, XLogP of 1.62, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-N'-(2-methoxyethyl)butanediamide is sourced from PubChem (CID 5221406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).