N-[8-(dodecanoylamino)octyl]dodecanamide

C32H64N2O2 — CID 3273664

IUPACN-[8-(dodecanoylamino)octyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NCCCCCCCCNC(=O)CCCCCCCCCCC
InChIInChI=1S/C32H64N2O2/c1-3-5-7-9-11-13-15-19-23-27-31(35)33-29-25-21-17-18-22-26-30-34-32(36)28-24-20-16-14-12-10-8-6-4-2/h3-30H2,1-2H3,(H,33,35)(H,34,36)
InChIKeyMKFRXAKGBDUBBD-UHFFFAOYSA-N
MW508.88 g/mol
LogP9.40
Rot. Bonds29

About N-[8-(dodecanoylamino)octyl]dodecanamide

N-[8-(dodecanoylamino)octyl]dodecanamide (PubChem CID 3273664) has the molecular formula C32H64N2O2 and a molecular weight of 508.88 g/mol. Its IUPAC name is N-[8-(dodecanoylamino)octyl]dodecanamide.

Molecular Properties

Compound NameN-[8-(dodecanoylamino)octyl]dodecanamide
PubChem CID3273664
Molecular FormulaC32H64N2O2
Molecular Weight508.88 g/mol
Exact Mass508.50
IUPAC NameN-[8-(dodecanoylamino)octyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NCCCCCCCCNC(=O)CCCCCCCCCCC
InChIInChI=1S/C32H64N2O2/c1-3-5-7-9-11-13-15-19-23-27-31(35)33-29-25-21-17-18-22-26-30-34-32(36)28-24-20-16-14-12-10-8-6-4-2/h3-30H2,1-2H3,(H,33,35)(H,34,36)
InChIKeyMKFRXAKGBDUBBD-UHFFFAOYSA-N
XLogP9.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds29
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.88
LogP ≤ 59.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[8-(dodecanoylamino)octyl]dodecanamide with MolForge

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

Launch Full Analysis

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-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-nonyltridecanamide
CID 154228217
N-pentylicosanamide
CID 139961886
N-hexadecylhexanamide
CID 4953738
N-[7-(dodecanoylamino)heptyl]dodecanamide
CID 4580774

Frequently Asked Questions

What is the IUPAC name of N-[8-(dodecanoylamino)octyl]dodecanamide?
The IUPAC name of N-[8-(dodecanoylamino)octyl]dodecanamide (CID 3273664) is N-[8-(dodecanoylamino)octyl]dodecanamide.
What is the SMILES notation for N-[8-(dodecanoylamino)octyl]dodecanamide?
The canonical SMILES for N-[8-(dodecanoylamino)octyl]dodecanamide is CCCCCCCCCCCC(=O)NCCCCCCCCNC(=O)CCCCCCCCCCC.
What is the InChIKey of N-[8-(dodecanoylamino)octyl]dodecanamide?
The InChIKey is MKFRXAKGBDUBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H64N2O2/c1-3-5-7-9-11-13-15-19-23-27-31(35)33-29-25-21-17-18-22-26-30-34-32(36)28-24-20-16-14-12-10-8-6-4-2/h3-30H2,1-2H3,(H,33,35)(H,34,36).
What are the key properties of N-[8-(dodecanoylamino)octyl]dodecanamide?
N-[8-(dodecanoylamino)octyl]dodecanamide has a molecular weight of 508.88 g/mol, XLogP of 9.40, 29 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(dodecanoylamino)octyl]dodecanamide is sourced from PubChem (CID 3273664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).