N-(1-amino-3-hydroxyhexan-3-yl)dodecanamide

C18H38N2O2 — CID 87068240

IUPACN-(1-amino-3-hydroxyhexan-3-yl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NC(O)(CCC)CCN
InChIInChI=1S/C18H38N2O2/c1-3-5-6-7-8-9-10-11-12-13-17(21)20-18(22,14-4-2)15-16-19/h22H,3-16,19H2,1-2H3,(H,20,21)
InChIKeyVLFQGCFSKKQSIJ-UHFFFAOYSA-N
MW314.51 g/mol
LogP3.86
Rot. Bonds15

About N-(1-amino-3-hydroxyhexan-3-yl)dodecanamide

N-(1-amino-3-hydroxyhexan-3-yl)dodecanamide (PubChem CID 87068240) has the molecular formula C18H38N2O2 and a molecular weight of 314.51 g/mol. Its IUPAC name is N-(1-amino-3-hydroxyhexan-3-yl)dodecanamide.

Molecular Properties

Compound NameN-(1-amino-3-hydroxyhexan-3-yl)dodecanamide
PubChem CID87068240
Molecular FormulaC18H38N2O2
Molecular Weight314.51 g/mol
Exact Mass314.29
IUPAC NameN-(1-amino-3-hydroxyhexan-3-yl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NC(O)(CCC)CCN
InChIInChI=1S/C18H38N2O2/c1-3-5-6-7-8-9-10-11-12-13-17(21)20-18(22,14-4-2)15-16-19/h22H,3-16,19H2,1-2H3,(H,20,21)
InChIKeyVLFQGCFSKKQSIJ-UHFFFAOYSA-N
XLogP3.86
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.51
LogP ≤ 53.86
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'}

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Related Compounds

N-[1,7-diamino-4-(3-aminopropyl)heptan-4-yl]dodecanamide;trihydrochloride
CID 24905581
N-(1-amino-3-methylpentan-3-yl)nonanamide
CID 106164392
N-(2-hydroxypropan-2-yl)heptanamide
CID 139307065
N-(2-amino-3-hydroxy-2-methylhexan-3-yl)octadecanamide
CID 18521143
(Z)-N-[1,7-diamino-4-(3-aminopropyl)heptan-4-yl]octadec-8-enamide;trihydrochloride
CID 24905450
N-(3-amino-3-ethyl-4-hydroxyheptan-4-yl)tetradecanamide
CID 88726820
N-(3-hydroxy-2-methylhexan-3-yl)octadecanamide
CID 18538189
(8Z,11Z)-N-[1,7-diamino-4-(3-aminopropyl)heptan-4-yl]octadeca-8,11-dienamide
CID 24905453
N-[3-(aminomethyl)pentan-3-yl]octanamide
CID 63767635
2-(7-aminoheptanoylamino)-2-methylpentanoic acid
CID 61161031
N-(1-amino-2,3-dimethylbutan-2-yl)octanamide
CID 81486540
N-(1-amino-2,3-dimethylbutan-2-yl)decanamide
CID 115310393

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-hydroxyhexan-3-yl)dodecanamide?
The IUPAC name of N-(1-amino-3-hydroxyhexan-3-yl)dodecanamide (CID 87068240) is N-(1-amino-3-hydroxyhexan-3-yl)dodecanamide.
What is the SMILES notation for N-(1-amino-3-hydroxyhexan-3-yl)dodecanamide?
The canonical SMILES for N-(1-amino-3-hydroxyhexan-3-yl)dodecanamide is CCCCCCCCCCCC(=O)NC(O)(CCC)CCN.
What is the InChIKey of N-(1-amino-3-hydroxyhexan-3-yl)dodecanamide?
The InChIKey is VLFQGCFSKKQSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O2/c1-3-5-6-7-8-9-10-11-12-13-17(21)20-18(22,14-4-2)15-16-19/h22H,3-16,19H2,1-2H3,(H,20,21).
What are the key properties of N-(1-amino-3-hydroxyhexan-3-yl)dodecanamide?
N-(1-amino-3-hydroxyhexan-3-yl)dodecanamide has a molecular weight of 314.51 g/mol, XLogP of 3.86, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-hydroxyhexan-3-yl)dodecanamide is sourced from PubChem (CID 87068240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).