N-methylidenedocosanamide

C23H45NO — CID 175417802

IUPACN-methylidenedocosanamide
SMILESC=NC(=O)CCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C23H45NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(25)24-2/h2-22H2,1H3
InChIKeySZEBFPFYBGCKRJ-UHFFFAOYSA-N
MW351.62 g/mol
LogP8.04
Rot. Bonds20

About N-methylidenedocosanamide

N-methylidenedocosanamide (PubChem CID 175417802) has the molecular formula C23H45NO and a molecular weight of 351.62 g/mol. Its IUPAC name is N-methylidenedocosanamide.

Molecular Properties

Compound NameN-methylidenedocosanamide
PubChem CID175417802
Molecular FormulaC23H45NO
Molecular Weight351.62 g/mol
Exact Mass351.35
IUPAC NameN-methylidenedocosanamide
SMILESC=NC(=O)CCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C23H45NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(25)24-2/h2-22H2,1H3
InChIKeySZEBFPFYBGCKRJ-UHFFFAOYSA-N
XLogP8.04
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.62
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-methylidenehexacosanamide
CID 89187174
N-oxotetradecanamide
CID 87730431
N-oxooctanamide
CID 87234486
N-sulfanylideneoctanamide
CID 58219363
ethene;tridecan-7-one
CID 159715360
nonanoyl isothiocyanate
CID 19774855
N-propylideneundecanamide
CID 90933467
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
octadecane-9,10-dione
CID 10902085
nonatriacontane-16,17-dione
CID 175447711
nonadecan-7-one
CID 12913434

Frequently Asked Questions

What is the IUPAC name of N-methylidenedocosanamide?
The IUPAC name of N-methylidenedocosanamide (CID 175417802) is N-methylidenedocosanamide.
What is the SMILES notation for N-methylidenedocosanamide?
The canonical SMILES for N-methylidenedocosanamide is C=NC(=O)CCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of N-methylidenedocosanamide?
The InChIKey is SZEBFPFYBGCKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(25)24-2/h2-22H2,1H3.
What are the key properties of N-methylidenedocosanamide?
N-methylidenedocosanamide has a molecular weight of 351.62 g/mol, XLogP of 8.04, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylidenedocosanamide is sourced from PubChem (CID 175417802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).