N-[4-(methylaminomethylamino)butan-2-yl]hexadecanamide

C22H47N3O — CID 91505971

IUPACN-[4-(methylaminomethylamino)butan-2-yl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NC(C)CCNCNC
InChIInChI=1S/C22H47N3O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)25-21(2)18-19-24-20-23-3/h21,23-24H,4-20H2,1-3H3,(H,25,26)
InChIKeyYQRCCQSDRVHJMY-UHFFFAOYSA-N
MW369.64 g/mol
LogP5.13
Rot. Bonds20

About N-[4-(methylaminomethylamino)butan-2-yl]hexadecanamide

N-[4-(methylaminomethylamino)butan-2-yl]hexadecanamide (PubChem CID 91505971) has the molecular formula C22H47N3O and a molecular weight of 369.64 g/mol. Its IUPAC name is N-[4-(methylaminomethylamino)butan-2-yl]hexadecanamide.

Molecular Properties

Compound NameN-[4-(methylaminomethylamino)butan-2-yl]hexadecanamide
PubChem CID91505971
Molecular FormulaC22H47N3O
Molecular Weight369.64 g/mol
Exact Mass369.37
IUPAC NameN-[4-(methylaminomethylamino)butan-2-yl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NC(C)CCNCNC
InChIInChI=1S/C22H47N3O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)25-21(2)18-19-24-20-23-3/h21,23-24H,4-20H2,1-3H3,(H,25,26)
InChIKeyYQRCCQSDRVHJMY-UHFFFAOYSA-N
XLogP5.13
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.64
LogP ≤ 55.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[4-(methylaminomethylamino)butan-2-yl]hexadecanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-pentan-2-ylundecanamide
CID 173258559
N-octadecan-2-ylhexadecanamide
CID 87600664
N-heptan-2-yldodecanamide
CID 3484810
N-butan-2-ylhexacosanamide
CID 163047877
N-butan-2-ylnonanamide
CID 4188803
N-dodecan-2-yl-3-[2-(methylamino)ethylamino]propanamide
CID 89162924
N-(4-aminobutan-2-yl)octanamide
CID 62087208
N-(1-hydroxypropan-2-yl)heptanamide
CID 43418581
3-(heptanoylamino)butanoic acid
CID 43360958
N-[(2R)-1-aminopropan-2-yl]nonanamide
CID 104873041
N-(6-aminohexan-2-yl)octanamide
CID 123172105
5-chloro-N-heptan-2-ylpentanamide
CID 43578895

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylaminomethylamino)butan-2-yl]hexadecanamide?
The IUPAC name of N-[4-(methylaminomethylamino)butan-2-yl]hexadecanamide (CID 91505971) is N-[4-(methylaminomethylamino)butan-2-yl]hexadecanamide.
What is the SMILES notation for N-[4-(methylaminomethylamino)butan-2-yl]hexadecanamide?
The canonical SMILES for N-[4-(methylaminomethylamino)butan-2-yl]hexadecanamide is CCCCCCCCCCCCCCCC(=O)NC(C)CCNCNC.
What is the InChIKey of N-[4-(methylaminomethylamino)butan-2-yl]hexadecanamide?
The InChIKey is YQRCCQSDRVHJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47N3O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)25-21(2)18-19-24-20-23-3/h21,23-24H,4-20H2,1-3H3,(H,25,26).
What are the key properties of N-[4-(methylaminomethylamino)butan-2-yl]hexadecanamide?
N-[4-(methylaminomethylamino)butan-2-yl]hexadecanamide has a molecular weight of 369.64 g/mol, XLogP of 5.13, 20 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylaminomethylamino)butan-2-yl]hexadecanamide is sourced from PubChem (CID 91505971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).