N-hexyl-5-(2-methylidenehydrazinyl)-2-(octadecylamino)pentanamide

C30H62N4O — CID 174995817

IUPACN-hexyl-5-(2-methylidenehydrazinyl)-2-(octadecylamino)pentanamide
SMILESC=NNCCCC(NCCCCCCCCCCCCCCCCCC)C(=O)NCCCCCC
InChIInChI=1S/C30H62N4O/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-21-23-26-32-29(25-24-28-34-31-3)30(35)33-27-22-9-7-5-2/h29,32,34H,3-28H2,1-2H3,(H,33,35)
InChIKeyYALBTBHBIDLPJA-UHFFFAOYSA-N
MW494.85 g/mol
LogP7.89
Rot. Bonds29

About N-hexyl-5-(2-methylidenehydrazinyl)-2-(octadecylamino)pentanamide

N-hexyl-5-(2-methylidenehydrazinyl)-2-(octadecylamino)pentanamide (PubChem CID 174995817) has the molecular formula C30H62N4O and a molecular weight of 494.85 g/mol. Its IUPAC name is N-hexyl-5-(2-methylidenehydrazinyl)-2-(octadecylamino)pentanamide.

Molecular Properties

Compound NameN-hexyl-5-(2-methylidenehydrazinyl)-2-(octadecylamino)pentanamide
PubChem CID174995817
Molecular FormulaC30H62N4O
Molecular Weight494.85 g/mol
Exact Mass494.49
IUPAC NameN-hexyl-5-(2-methylidenehydrazinyl)-2-(octadecylamino)pentanamide
SMILESC=NNCCCC(NCCCCCCCCCCCCCCCCCC)C(=O)NCCCCCC
InChIInChI=1S/C30H62N4O/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-21-23-26-32-29(25-24-28-34-31-3)30(35)33-27-22-9-7-5-2/h29,32,34H,3-28H2,1-2H3,(H,33,35)
InChIKeyYALBTBHBIDLPJA-UHFFFAOYSA-N
XLogP7.89
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds29
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.85
LogP ≤ 57.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(dodecylamino)hexanoic acid
CID 139637216
2-(pentylamino)octanoic acid
CID 129188286
N-[6-(2-methylidenehydrazinyl)-2-oxohexan-3-yl]dodecanamide
CID 175359736
3-aminopropyl N-[4-(3-aminopropylamino)-5-oxo-5-(tetradecylamino)pentyl]carbamate
CID 89258604
2-methyl-N-nonyldecanamide
CID 141429494
2-[3-(dimethylamino)propylamino]-N-[(Z)-octadec-9-enyl]heptadecanamide;ethane
CID 172594451
3-aminopropyl-[4-(3-aminopropylamino)-5-oxo-5-(tetradecylamino)pentyl]carbamic acid
CID 89258603
2-(tridecylamino)octanamide
CID 154123950
N-[6-(heptylamino)-5-(methylamino)-6-oxohexyl]hexadecanamide
CID 162524665
2-[2-(1-carboxynonylamino)ethylamino]decanoic acid
CID 86120299
2-(dodecylamino)-6-isothiocyanatohexanoic acid
CID 169308286
(2S)-2-(6-carboxyhexylamino)decanoic acid
CID 124673847

Frequently Asked Questions

What is the IUPAC name of N-hexyl-5-(2-methylidenehydrazinyl)-2-(octadecylamino)pentanamide?
The IUPAC name of N-hexyl-5-(2-methylidenehydrazinyl)-2-(octadecylamino)pentanamide (CID 174995817) is N-hexyl-5-(2-methylidenehydrazinyl)-2-(octadecylamino)pentanamide.
What is the SMILES notation for N-hexyl-5-(2-methylidenehydrazinyl)-2-(octadecylamino)pentanamide?
The canonical SMILES for N-hexyl-5-(2-methylidenehydrazinyl)-2-(octadecylamino)pentanamide is C=NNCCCC(NCCCCCCCCCCCCCCCCCC)C(=O)NCCCCCC.
What is the InChIKey of N-hexyl-5-(2-methylidenehydrazinyl)-2-(octadecylamino)pentanamide?
The InChIKey is YALBTBHBIDLPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H62N4O/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-21-23-26-32-29(25-24-28-34-31-3)30(35)33-27-22-9-7-5-2/h29,32,34H,3-28H2,1-2H3,(H,33,35).
What are the key properties of N-hexyl-5-(2-methylidenehydrazinyl)-2-(octadecylamino)pentanamide?
N-hexyl-5-(2-methylidenehydrazinyl)-2-(octadecylamino)pentanamide has a molecular weight of 494.85 g/mol, XLogP of 7.89, 29 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-5-(2-methylidenehydrazinyl)-2-(octadecylamino)pentanamide is sourced from PubChem (CID 174995817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).