N-methylidenehexacosanamide

C27H53NO — CID 89187174

IUPACN-methylidenehexacosanamide
SMILESC=NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C27H53NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(29)28-2/h2-26H2,1H3
InChIKeyCBGAMBZFGSPCSD-UHFFFAOYSA-N
MW407.73 g/mol
LogP9.60
Rot. Bonds24

About N-methylidenehexacosanamide

N-methylidenehexacosanamide (PubChem CID 89187174) has the molecular formula C27H53NO and a molecular weight of 407.73 g/mol. Its IUPAC name is N-methylidenehexacosanamide.

Molecular Properties

Compound NameN-methylidenehexacosanamide
PubChem CID89187174
Molecular FormulaC27H53NO
Molecular Weight407.73 g/mol
Exact Mass407.41
IUPAC NameN-methylidenehexacosanamide
SMILESC=NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C27H53NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(29)28-2/h2-26H2,1H3
InChIKeyCBGAMBZFGSPCSD-UHFFFAOYSA-N
XLogP9.60
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.73
LogP ≤ 59.60
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-methylidenedocosanamide
CID 175417802
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-methylidenehexacosanamide?
The IUPAC name of N-methylidenehexacosanamide (CID 89187174) is N-methylidenehexacosanamide.
What is the SMILES notation for N-methylidenehexacosanamide?
The canonical SMILES for N-methylidenehexacosanamide is C=NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of N-methylidenehexacosanamide?
The InChIKey is CBGAMBZFGSPCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H53NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(29)28-2/h2-26H2,1H3.
What are the key properties of N-methylidenehexacosanamide?
N-methylidenehexacosanamide has a molecular weight of 407.73 g/mol, XLogP of 9.60, 24 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylidenehexacosanamide is sourced from PubChem (CID 89187174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).