N-[7-(dodecanoylamino)heptyl]dodecanamide

C31H62N2O2 — CID 4580774

IUPACN-[7-(dodecanoylamino)heptyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NCCCCCCCNC(=O)CCCCCCCCCCC
InChIInChI=1S/C31H62N2O2/c1-3-5-7-9-11-13-15-18-22-26-30(34)32-28-24-20-17-21-25-29-33-31(35)27-23-19-16-14-12-10-8-6-4-2/h3-29H2,1-2H3,(H,32,34)(H,33,35)
InChIKeyGFRMVBLSZBSWHS-UHFFFAOYSA-N
MW494.85 g/mol
LogP9.01
Rot. Bonds28

About N-[7-(dodecanoylamino)heptyl]dodecanamide

N-[7-(dodecanoylamino)heptyl]dodecanamide (PubChem CID 4580774) has the molecular formula C31H62N2O2 and a molecular weight of 494.85 g/mol. Its IUPAC name is N-[7-(dodecanoylamino)heptyl]dodecanamide.

Molecular Properties

Compound NameN-[7-(dodecanoylamino)heptyl]dodecanamide
PubChem CID4580774
Molecular FormulaC31H62N2O2
Molecular Weight494.85 g/mol
Exact Mass494.48
IUPAC NameN-[7-(dodecanoylamino)heptyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NCCCCCCCNC(=O)CCCCCCCCCCC
InChIInChI=1S/C31H62N2O2/c1-3-5-7-9-11-13-15-18-22-26-30(34)32-28-24-20-17-21-25-29-33-31(35)27-23-19-16-14-12-10-8-6-4-2/h3-29H2,1-2H3,(H,32,34)(H,33,35)
InChIKeyGFRMVBLSZBSWHS-UHFFFAOYSA-N
XLogP9.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds28
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.85
LogP ≤ 59.01
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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Related Compounds

N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-nonyltridecanamide
CID 154228217
N-pentylicosanamide
CID 139961886
N-hexadecylhexanamide
CID 4953738

Frequently Asked Questions

What is the IUPAC name of N-[7-(dodecanoylamino)heptyl]dodecanamide?
The IUPAC name of N-[7-(dodecanoylamino)heptyl]dodecanamide (CID 4580774) is N-[7-(dodecanoylamino)heptyl]dodecanamide.
What is the SMILES notation for N-[7-(dodecanoylamino)heptyl]dodecanamide?
The canonical SMILES for N-[7-(dodecanoylamino)heptyl]dodecanamide is CCCCCCCCCCCC(=O)NCCCCCCCNC(=O)CCCCCCCCCCC.
What is the InChIKey of N-[7-(dodecanoylamino)heptyl]dodecanamide?
The InChIKey is GFRMVBLSZBSWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H62N2O2/c1-3-5-7-9-11-13-15-18-22-26-30(34)32-28-24-20-17-21-25-29-33-31(35)27-23-19-16-14-12-10-8-6-4-2/h3-29H2,1-2H3,(H,32,34)(H,33,35).
What are the key properties of N-[7-(dodecanoylamino)heptyl]dodecanamide?
N-[7-(dodecanoylamino)heptyl]dodecanamide has a molecular weight of 494.85 g/mol, XLogP of 9.01, 28 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(dodecanoylamino)heptyl]dodecanamide is sourced from PubChem (CID 4580774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).