N-(3-amino-3-ethyl-4-hydroxyheptan-4-yl)tetradecanamide

C23H48N2O2 — CID 88726820

IUPACN-(3-amino-3-ethyl-4-hydroxyheptan-4-yl)tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NC(O)(CCC)C(N)(CC)CC
InChIInChI=1S/C23H48N2O2/c1-5-9-10-11-12-13-14-15-16-17-18-19-21(26)25-23(27,20-6-2)22(24,7-3)8-4/h27H,5-20,24H2,1-4H3,(H,25,26)
InChIKeyXRTARUGDSDZDBB-UHFFFAOYSA-N
MW384.65 g/mol
LogP5.81
Rot. Bonds18

About N-(3-amino-3-ethyl-4-hydroxyheptan-4-yl)tetradecanamide

N-(3-amino-3-ethyl-4-hydroxyheptan-4-yl)tetradecanamide (PubChem CID 88726820) has the molecular formula C23H48N2O2 and a molecular weight of 384.65 g/mol. Its IUPAC name is N-(3-amino-3-ethyl-4-hydroxyheptan-4-yl)tetradecanamide.

Molecular Properties

Compound NameN-(3-amino-3-ethyl-4-hydroxyheptan-4-yl)tetradecanamide
PubChem CID88726820
Molecular FormulaC23H48N2O2
Molecular Weight384.65 g/mol
Exact Mass384.37
IUPAC NameN-(3-amino-3-ethyl-4-hydroxyheptan-4-yl)tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NC(O)(CCC)C(N)(CC)CC
InChIInChI=1S/C23H48N2O2/c1-5-9-10-11-12-13-14-15-16-17-18-19-21(26)25-23(27,20-6-2)22(24,7-3)8-4/h27H,5-20,24H2,1-4H3,(H,25,26)
InChIKeyXRTARUGDSDZDBB-UHFFFAOYSA-N
XLogP5.81
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.65
LogP ≤ 55.81
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-(3-amino-3-ethyl-4-hydroxyheptan-4-yl)tetradecanamide 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-(2-amino-3-hydroxy-2-methylhexan-3-yl)octadecanamide
CID 18521143
N-(1-amino-3-hydroxyhexan-3-yl)dodecanamide
CID 87068240
N-(2-hydroxypropan-2-yl)heptanamide
CID 139307065
N-(1-amino-3-methylpentan-3-yl)nonanamide
CID 106164392
N-(3-hydroxy-2-methylhexan-3-yl)octadecanamide
CID 18538189
N-[3-(aminomethyl)pentan-3-yl]octanamide
CID 63767635
N-[1,7-diamino-4-(3-aminopropyl)heptan-4-yl]dodecanamide;trihydrochloride
CID 24905581
N-(3-methylpentan-3-yl)hexanamide
CID 90883485
N-[3-(hydroxymethyl)pentan-3-yl]octanamide
CID 55082633
N-[3-(hydroxymethyl)pentan-3-yl]dodecanamide
CID 65427888
N-(1,2-diamino-5-oxodocosan-2-yl)nonadecanamide
CID 143485924
2-(dodecanoylamino)pentan-2-yl-hydroxy-dimethylazanium perchlorate
CID 87087554

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-ethyl-4-hydroxyheptan-4-yl)tetradecanamide?
The IUPAC name of N-(3-amino-3-ethyl-4-hydroxyheptan-4-yl)tetradecanamide (CID 88726820) is N-(3-amino-3-ethyl-4-hydroxyheptan-4-yl)tetradecanamide.
What is the SMILES notation for N-(3-amino-3-ethyl-4-hydroxyheptan-4-yl)tetradecanamide?
The canonical SMILES for N-(3-amino-3-ethyl-4-hydroxyheptan-4-yl)tetradecanamide is CCCCCCCCCCCCCC(=O)NC(O)(CCC)C(N)(CC)CC.
What is the InChIKey of N-(3-amino-3-ethyl-4-hydroxyheptan-4-yl)tetradecanamide?
The InChIKey is XRTARUGDSDZDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48N2O2/c1-5-9-10-11-12-13-14-15-16-17-18-19-21(26)25-23(27,20-6-2)22(24,7-3)8-4/h27H,5-20,24H2,1-4H3,(H,25,26).
What are the key properties of N-(3-amino-3-ethyl-4-hydroxyheptan-4-yl)tetradecanamide?
N-(3-amino-3-ethyl-4-hydroxyheptan-4-yl)tetradecanamide has a molecular weight of 384.65 g/mol, XLogP of 5.81, 18 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-ethyl-4-hydroxyheptan-4-yl)tetradecanamide is sourced from PubChem (CID 88726820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).