N-[12-(decanoylamino)dodecyl]decanamide

C32H64N2O2 — CID 142735988

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

About N-[12-(decanoylamino)dodecyl]decanamide

N-[12-(decanoylamino)dodecyl]decanamide (PubChem CID 142735988) has the molecular formula C32H64N2O2 and a molecular weight of 508.88 g/mol. Its IUPAC name is N-[12-(decanoylamino)dodecyl]decanamide.

Molecular Properties

Compound NameN-[12-(decanoylamino)dodecyl]decanamide
PubChem CID142735988
Molecular FormulaC32H64N2O2
Molecular Weight508.88 g/mol
Exact Mass508.50
IUPAC NameN-[12-(decanoylamino)dodecyl]decanamide
SMILESCCCCCCCCCC(=O)NCCCCCCCCCCCCNC(=O)CCCCCCCCC
InChIInChI=1S/C32H64N2O2/c1-3-5-7-9-15-19-23-27-31(35)33-29-25-21-17-13-11-12-14-18-22-26-30-34-32(36)28-24-20-16-10-8-6-4-2/h3-30H2,1-2H3,(H,33,35)(H,34,36)
InChIKeyGNBSJAAKVKIQQM-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'}

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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-[12-(decanoylamino)dodecyl]decanamide?
The IUPAC name of N-[12-(decanoylamino)dodecyl]decanamide (CID 142735988) is N-[12-(decanoylamino)dodecyl]decanamide.
What is the SMILES notation for N-[12-(decanoylamino)dodecyl]decanamide?
The canonical SMILES for N-[12-(decanoylamino)dodecyl]decanamide is CCCCCCCCCC(=O)NCCCCCCCCCCCCNC(=O)CCCCCCCCC.
What is the InChIKey of N-[12-(decanoylamino)dodecyl]decanamide?
The InChIKey is GNBSJAAKVKIQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H64N2O2/c1-3-5-7-9-15-19-23-27-31(35)33-29-25-21-17-13-11-12-14-18-22-26-30-34-32(36)28-24-20-16-10-8-6-4-2/h3-30H2,1-2H3,(H,33,35)(H,34,36).
What are the key properties of N-[12-(decanoylamino)dodecyl]decanamide?
N-[12-(decanoylamino)dodecyl]decanamide 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-[12-(decanoylamino)dodecyl]decanamide is sourced from PubChem (CID 142735988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).