N-[2-(nonylamino)-2-oxoethyl]decanamide

C21H42N2O2 — CID 166872339

IUPACN-[2-(nonylamino)-2-oxoethyl]decanamide
SMILESCCCCCCCCCNC(=O)CNC(=O)CCCCCCCCC
InChIInChI=1S/C21H42N2O2/c1-3-5-7-9-11-13-15-17-20(24)23-19-21(25)22-18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyUIXFHUSMSSSIBN-UHFFFAOYSA-N
MW354.58 g/mol
LogP5.11
Rot. Bonds18

About N-[2-(nonylamino)-2-oxoethyl]decanamide

N-[2-(nonylamino)-2-oxoethyl]decanamide (PubChem CID 166872339) has the molecular formula C21H42N2O2 and a molecular weight of 354.58 g/mol. Its IUPAC name is N-[2-(nonylamino)-2-oxoethyl]decanamide.

Molecular Properties

Compound NameN-[2-(nonylamino)-2-oxoethyl]decanamide
PubChem CID166872339
Molecular FormulaC21H42N2O2
Molecular Weight354.58 g/mol
Exact Mass354.32
IUPAC NameN-[2-(nonylamino)-2-oxoethyl]decanamide
SMILESCCCCCCCCCNC(=O)CNC(=O)CCCCCCCCC
InChIInChI=1S/C21H42N2O2/c1-3-5-7-9-11-13-15-17-20(24)23-19-21(25)22-18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyUIXFHUSMSSSIBN-UHFFFAOYSA-N
XLogP5.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.58
LogP ≤ 55.11
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-[2-(nonylamino)-2-oxoethyl]decanamide?
The IUPAC name of N-[2-(nonylamino)-2-oxoethyl]decanamide (CID 166872339) is N-[2-(nonylamino)-2-oxoethyl]decanamide.
What is the SMILES notation for N-[2-(nonylamino)-2-oxoethyl]decanamide?
The canonical SMILES for N-[2-(nonylamino)-2-oxoethyl]decanamide is CCCCCCCCCNC(=O)CNC(=O)CCCCCCCCC.
What is the InChIKey of N-[2-(nonylamino)-2-oxoethyl]decanamide?
The InChIKey is UIXFHUSMSSSIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2O2/c1-3-5-7-9-11-13-15-17-20(24)23-19-21(25)22-18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[2-(nonylamino)-2-oxoethyl]decanamide?
N-[2-(nonylamino)-2-oxoethyl]decanamide has a molecular weight of 354.58 g/mol, XLogP of 5.11, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(nonylamino)-2-oxoethyl]decanamide is sourced from PubChem (CID 166872339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).