N-[(Z)-2-(methylamino)but-2-enyl]hexadecanamide

C21H42N2O — CID 143986752

IUPACN-[(Z)-2-(methylamino)but-2-enyl]hexadecanamide
SMILESC/C=C(/CNC(=O)CCCCCCCCCCCCCCC)NC
InChIInChI=1S/C21H42N2O/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)23-19-20(5-2)22-3/h5,22H,4,6-19H2,1-3H3,(H,23,24)/b20-5-
InChIKeyQXVMRUDQJGWUSS-SDPNRITHSA-N
MW338.58 g/mol
LogP5.71
Rot. Bonds17

About N-[(Z)-2-(methylamino)but-2-enyl]hexadecanamide

N-[(Z)-2-(methylamino)but-2-enyl]hexadecanamide (PubChem CID 143986752) has the molecular formula C21H42N2O and a molecular weight of 338.58 g/mol. Its IUPAC name is N-[(Z)-2-(methylamino)but-2-enyl]hexadecanamide.

Molecular Properties

Compound NameN-[(Z)-2-(methylamino)but-2-enyl]hexadecanamide
PubChem CID143986752
Molecular FormulaC21H42N2O
Molecular Weight338.58 g/mol
Exact Mass338.33
IUPAC NameN-[(Z)-2-(methylamino)but-2-enyl]hexadecanamide
SMILESC/C=C(/CNC(=O)CCCCCCCCCCCCCCC)NC
InChIInChI=1S/C21H42N2O/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)23-19-20(5-2)22-3/h5,22H,4,6-19H2,1-3H3,(H,23,24)/b20-5-
InChIKeyQXVMRUDQJGWUSS-SDPNRITHSA-N
XLogP5.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.58
LogP ≤ 55.71
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-[(Z)-2-(methylamino)but-2-enyl]hexadecanamide;propane
CID 143986751
N-(hydroxymethyl)henicosanamide
CID 102116485
N-methylheptacosanamide
CID 18175889
N-methylnonadecanamide
CID 2724821
N-methylundecanamide
CID 23297450
N-[(octadecanoylamino)methyl]tetracosanamide
CID 123600092
N-ethyltridecanamide
CID 23297417
ethane;N-methyltetradecanamide
CID 153349961
N-ethylhexadecanamide
CID 18377756
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
sodium;2-(hexadecanoylamino)acetic acid;hydride
CID 173207705
disodium bis(2-(octadecanoylamino)acetate)
CID 141447181

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(methylamino)but-2-enyl]hexadecanamide?
The IUPAC name of N-[(Z)-2-(methylamino)but-2-enyl]hexadecanamide (CID 143986752) is N-[(Z)-2-(methylamino)but-2-enyl]hexadecanamide.
What is the SMILES notation for N-[(Z)-2-(methylamino)but-2-enyl]hexadecanamide?
The canonical SMILES for N-[(Z)-2-(methylamino)but-2-enyl]hexadecanamide is C/C=C(/CNC(=O)CCCCCCCCCCCCCCC)NC.
What is the InChIKey of N-[(Z)-2-(methylamino)but-2-enyl]hexadecanamide?
The InChIKey is QXVMRUDQJGWUSS-SDPNRITHSA-N. The full InChI is InChI=1S/C21H42N2O/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)23-19-20(5-2)22-3/h5,22H,4,6-19H2,1-3H3,(H,23,24)/b20-5-.
What are the key properties of N-[(Z)-2-(methylamino)but-2-enyl]hexadecanamide?
N-[(Z)-2-(methylamino)but-2-enyl]hexadecanamide has a molecular weight of 338.58 g/mol, XLogP of 5.71, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(methylamino)but-2-enyl]hexadecanamide is sourced from PubChem (CID 143986752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).