N-(1,4-dihydroxytetradecan-2-yl)tetradecanamide

C28H57NO3 — CID 22971680

IUPACN-(1,4-dihydroxytetradecan-2-yl)tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NC(CO)CC(O)CCCCCCCCCC
InChIInChI=1S/C28H57NO3/c1-3-5-7-9-11-13-14-15-17-19-21-23-28(32)29-26(25-30)24-27(31)22-20-18-16-12-10-8-6-4-2/h26-27,30-31H,3-25H2,1-2H3,(H,29,32)
InChIKeyVMMFYCGBHRBKDY-UHFFFAOYSA-N
MW455.77 g/mol
LogP7.45
Rot. Bonds25

About N-(1,4-dihydroxytetradecan-2-yl)tetradecanamide

N-(1,4-dihydroxytetradecan-2-yl)tetradecanamide (PubChem CID 22971680) has the molecular formula C28H57NO3 and a molecular weight of 455.77 g/mol. Its IUPAC name is N-(1,4-dihydroxytetradecan-2-yl)tetradecanamide.

Molecular Properties

Compound NameN-(1,4-dihydroxytetradecan-2-yl)tetradecanamide
PubChem CID22971680
Molecular FormulaC28H57NO3
Molecular Weight455.77 g/mol
Exact Mass455.43
IUPAC NameN-(1,4-dihydroxytetradecan-2-yl)tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NC(CO)CC(O)CCCCCCCCCC
InChIInChI=1S/C28H57NO3/c1-3-5-7-9-11-13-14-15-17-19-21-23-28(32)29-26(25-30)24-27(31)22-20-18-16-12-10-8-6-4-2/h26-27,30-31H,3-25H2,1-2H3,(H,29,32)
InChIKeyVMMFYCGBHRBKDY-UHFFFAOYSA-N
XLogP7.45
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds25
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.77
LogP ≤ 57.45
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

N-[(2R)-1,4-dihydroxytetradecan-2-yl]tetradecanamide
CID 59040546
N-(1,3-dihydroxypropan-2-yl)tridecanamide
CID 87498301
N-[(2S)-1-hydroxyoctadecan-2-yl]-31-oxotetratetracontanamide
CID 57043708
N-[(2R)-1-hydroxyicosan-2-yl]-12-oxotricosanamide
CID 54249823
N-[(2S)-1-hydroxyoctadecan-2-yl]-31-oxohexatetracontanamide
CID 57005666
N-(1-hydroxyicosan-2-yl)-12-oxopentacosanamide
CID 54427121
N-(1-hydroxyoctadecan-2-yl)octadec-9-enamide
CID 91503776
N-[(2S)-1-hydroxybutan-2-yl]hexanamide
CID 104981701
N-pentan-3-yldocosanamide
CID 123339332
N-(1-hydroxyhexan-2-yl)icos-11-enamide
CID 173265163
N-[(2S)-1-hydroxyoctadecan-2-yl]-16-oxoheptatriacont-28-enamide
CID 57156321
N-(1,3-dihydroxyicosan-2-yl)heptadecanamide
CID 21259878

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dihydroxytetradecan-2-yl)tetradecanamide?
The IUPAC name of N-(1,4-dihydroxytetradecan-2-yl)tetradecanamide (CID 22971680) is N-(1,4-dihydroxytetradecan-2-yl)tetradecanamide.
What is the SMILES notation for N-(1,4-dihydroxytetradecan-2-yl)tetradecanamide?
The canonical SMILES for N-(1,4-dihydroxytetradecan-2-yl)tetradecanamide is CCCCCCCCCCCCCC(=O)NC(CO)CC(O)CCCCCCCCCC.
What is the InChIKey of N-(1,4-dihydroxytetradecan-2-yl)tetradecanamide?
The InChIKey is VMMFYCGBHRBKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H57NO3/c1-3-5-7-9-11-13-14-15-17-19-21-23-28(32)29-26(25-30)24-27(31)22-20-18-16-12-10-8-6-4-2/h26-27,30-31H,3-25H2,1-2H3,(H,29,32).
What are the key properties of N-(1,4-dihydroxytetradecan-2-yl)tetradecanamide?
N-(1,4-dihydroxytetradecan-2-yl)tetradecanamide has a molecular weight of 455.77 g/mol, XLogP of 7.45, 25 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dihydroxytetradecan-2-yl)tetradecanamide is sourced from PubChem (CID 22971680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).