N-[12-(cycloheptylamino)dodecyl]cyclohexanecarboxamide

C26H50N2O — CID 166816734

IUPACN-[12-(cycloheptylamino)dodecyl]cyclohexanecarboxamide
SMILESO=C(NCCCCCCCCCCCCNC1CCCCCC1)C1CCCCC1
InChIInChI=1S/C26H50N2O/c29-26(24-18-12-11-13-19-24)28-23-17-10-6-4-2-1-3-5-9-16-22-27-25-20-14-7-8-15-21-25/h24-25,27H,1-23H2,(H,28,29)
InChIKeyFMDMRTJGAYIISK-UHFFFAOYSA-N
MW406.70 g/mol
LogP6.90
Rot. Bonds15

About N-[12-(cycloheptylamino)dodecyl]cyclohexanecarboxamide

N-[12-(cycloheptylamino)dodecyl]cyclohexanecarboxamide (PubChem CID 166816734) has the molecular formula C26H50N2O and a molecular weight of 406.70 g/mol. Its IUPAC name is N-[12-(cycloheptylamino)dodecyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[12-(cycloheptylamino)dodecyl]cyclohexanecarboxamide
PubChem CID166816734
Molecular FormulaC26H50N2O
Molecular Weight406.70 g/mol
Exact Mass406.39
IUPAC NameN-[12-(cycloheptylamino)dodecyl]cyclohexanecarboxamide
SMILESO=C(NCCCCCCCCCCCCNC1CCCCCC1)C1CCCCC1
InChIInChI=1S/C26H50N2O/c29-26(24-18-12-11-13-19-24)28-23-17-10-6-4-2-1-3-5-9-16-22-27-25-20-14-7-8-15-21-25/h24-25,27H,1-23H2,(H,28,29)
InChIKeyFMDMRTJGAYIISK-UHFFFAOYSA-N
XLogP6.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.70
LogP ≤ 56.90
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-[12-(cyclohexylamino)dodecyl]cyclopentanecarboxamide
CID 146474949
N-[3-(cyclopentylamino)propyl]cyclobutanecarboxamide;hydrochloride
CID 115676200
N-(6-hydroxyhexyl)cyclopentanecarboxamide
CID 70973936
7-(cyclooctanecarbonylamino)heptanoic acid
CID 65019467
N-(4-iodobutyl)cyclooctanecarboxamide
CID 106846142
N-(4-hydroxybutyl)cyclopentanecarboxamide
CID 106843693
N-[2-[2-[2-(cyclopentylamino)ethoxy]ethoxy]ethyl]cyclopentanecarboxamide
CID 166816681
N,N'-dicyclohexyloctane-1,8-diamine;dihydrochloride
CID 3029604
N-(3-aminopropyl)cyclohexanecarboxamide
CID 24699018
N-(3-hydroxypropyl)cyclopentanecarboxamide
CID 43392689
N-(3-bromopropyl)cyclopentanecarboxamide
CID 43133630
methyl 6-(cyclohexanecarbonylamino)hexanoate
CID 43404565

Frequently Asked Questions

What is the IUPAC name of N-[12-(cycloheptylamino)dodecyl]cyclohexanecarboxamide?
The IUPAC name of N-[12-(cycloheptylamino)dodecyl]cyclohexanecarboxamide (CID 166816734) is N-[12-(cycloheptylamino)dodecyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[12-(cycloheptylamino)dodecyl]cyclohexanecarboxamide?
The canonical SMILES for N-[12-(cycloheptylamino)dodecyl]cyclohexanecarboxamide is O=C(NCCCCCCCCCCCCNC1CCCCCC1)C1CCCCC1.
What is the InChIKey of N-[12-(cycloheptylamino)dodecyl]cyclohexanecarboxamide?
The InChIKey is FMDMRTJGAYIISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50N2O/c29-26(24-18-12-11-13-19-24)28-23-17-10-6-4-2-1-3-5-9-16-22-27-25-20-14-7-8-15-21-25/h24-25,27H,1-23H2,(H,28,29).
What are the key properties of N-[12-(cycloheptylamino)dodecyl]cyclohexanecarboxamide?
N-[12-(cycloheptylamino)dodecyl]cyclohexanecarboxamide has a molecular weight of 406.70 g/mol, XLogP of 6.90, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[12-(cycloheptylamino)dodecyl]cyclohexanecarboxamide is sourced from PubChem (CID 166816734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).