N-(3-aminopropyl)-3-hydroxytetradecanamide

C17H36N2O2 — CID 139771508

IUPACN-(3-aminopropyl)-3-hydroxytetradecanamide
SMILESCCCCCCCCCCCC(O)CC(=O)NCCCN
InChIInChI=1S/C17H36N2O2/c1-2-3-4-5-6-7-8-9-10-12-16(20)15-17(21)19-14-11-13-18/h16,20H,2-15,18H2,1H3,(H,19,21)
InChIKeyROOLUNBNLBHSIL-UHFFFAOYSA-N
MW300.49 g/mol
LogP3.12
Rot. Bonds15

About N-(3-aminopropyl)-3-hydroxytetradecanamide

N-(3-aminopropyl)-3-hydroxytetradecanamide (PubChem CID 139771508) has the molecular formula C17H36N2O2 and a molecular weight of 300.49 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-hydroxytetradecanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-hydroxytetradecanamide
PubChem CID139771508
Molecular FormulaC17H36N2O2
Molecular Weight300.49 g/mol
Exact Mass300.28
IUPAC NameN-(3-aminopropyl)-3-hydroxytetradecanamide
SMILESCCCCCCCCCCCC(O)CC(=O)NCCCN
InChIInChI=1S/C17H36N2O2/c1-2-3-4-5-6-7-8-9-10-12-16(20)15-17(21)19-14-11-13-18/h16,20H,2-15,18H2,1H3,(H,19,21)
InChIKeyROOLUNBNLBHSIL-UHFFFAOYSA-N
XLogP3.12
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[(3R)-3-hydroxytetradecanoyl]amino]acetic acid
CID 10590423
7-hydroxy-N-octadecyloctadecanamide
CID 57160535
N-(2-aminoethyl)-3-butyloctanamide
CID 88999153
7-hydroxy-N-[2-(7-hydroxyoctadecanoylamino)ethyl]octadecanamide
CID 57266771
3-hydroxy-N-octadecan-2-ylhexadecanamide
CID 174499474
1-aminopentadecan-4-ol
CID 151480186
1-aminooctacosan-11-ol
CID 172994921
N-(16-hydroxyoctadecyl)decanamide
CID 90886549
N-(2-aminoethyl)-3-ethyloctanamide
CID 88999094
3-(3-aminopropyl)-N-[3-[4-[3-[3-(3-aminopropyl)tetradecanoylamino]propyl]piperazin-1-yl]propyl]tetradecanamide
CID 177309917
N-(3-aminopropyl)-3-methylbutanamide
CID 23588483
1-(3-aminopropyl)-3-octadecylurea
CID 54170703

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-hydroxytetradecanamide?
The IUPAC name of N-(3-aminopropyl)-3-hydroxytetradecanamide (CID 139771508) is N-(3-aminopropyl)-3-hydroxytetradecanamide.
What is the SMILES notation for N-(3-aminopropyl)-3-hydroxytetradecanamide?
The canonical SMILES for N-(3-aminopropyl)-3-hydroxytetradecanamide is CCCCCCCCCCCC(O)CC(=O)NCCCN.
What is the InChIKey of N-(3-aminopropyl)-3-hydroxytetradecanamide?
The InChIKey is ROOLUNBNLBHSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O2/c1-2-3-4-5-6-7-8-9-10-12-16(20)15-17(21)19-14-11-13-18/h16,20H,2-15,18H2,1H3,(H,19,21).
What are the key properties of N-(3-aminopropyl)-3-hydroxytetradecanamide?
N-(3-aminopropyl)-3-hydroxytetradecanamide has a molecular weight of 300.49 g/mol, XLogP of 3.12, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-hydroxytetradecanamide is sourced from PubChem (CID 139771508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).