(3R)-N-[(2R)-1-hydroxyhexan-2-yl]-3-methyltetradecanamide

C21H43NO2 — CID 88590856

IUPAC(3R)-N-[(2R)-1-hydroxyhexan-2-yl]-3-methyltetradecanamide
SMILESCCCCCCCCCCC[C@@H](C)CC(=O)N[C@@H](CO)CCCC
InChIInChI=1S/C21H43NO2/c1-4-6-8-9-10-11-12-13-14-15-19(3)17-21(24)22-20(18-23)16-7-5-2/h19-20,23H,4-18H2,1-3H3,(H,22,24)/t19-,20-/m1/s1
InChIKeyHJNFHFOUZJNVBI-WOJBJXKFSA-N
MW341.58 g/mol
LogP5.60
Rot. Bonds17

About (3R)-N-[(2R)-1-hydroxyhexan-2-yl]-3-methyltetradecanamide

(3R)-N-[(2R)-1-hydroxyhexan-2-yl]-3-methyltetradecanamide (PubChem CID 88590856) has the molecular formula C21H43NO2 and a molecular weight of 341.58 g/mol. Its IUPAC name is (3R)-N-[(2R)-1-hydroxyhexan-2-yl]-3-methyltetradecanamide.

Molecular Properties

Compound Name(3R)-N-[(2R)-1-hydroxyhexan-2-yl]-3-methyltetradecanamide
PubChem CID88590856
Molecular FormulaC21H43NO2
Molecular Weight341.58 g/mol
Exact Mass341.33
IUPAC Name(3R)-N-[(2R)-1-hydroxyhexan-2-yl]-3-methyltetradecanamide
SMILESCCCCCCCCCCC[C@@H](C)CC(=O)N[C@@H](CO)CCCC
InChIInChI=1S/C21H43NO2/c1-4-6-8-9-10-11-12-13-14-15-19(3)17-21(24)22-20(18-23)16-7-5-2/h19-20,23H,4-18H2,1-3H3,(H,22,24)/t19-,20-/m1/s1
InChIKeyHJNFHFOUZJNVBI-WOJBJXKFSA-N
XLogP5.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.58
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[1-oxo-1-[[1-oxo-1-[[1-oxo-1-(2-oxononan-4-ylamino)octan-3-yl]amino]octan-3-yl]amino]octan-3-yl]octanamide
CID 170391705
N-(1-hydroxyicosan-2-yl)-12-oxopentacosanamide
CID 54427121
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
3-methyl-N-(1-oxohexan-3-yl)octanamide
CID 170597956
N-(1-hydroxyoctadecan-2-yl)octadec-9-enamide
CID 91503776
N-(1-hydroxyhexan-2-yl)icos-11-enamide
CID 173265163
3-methylnonadecanoic acid
CID 13392624
(3S)-3-methylhexadecanoic acid
CID 54227409
N-(1-aminohexan-2-yl)-3-methylpentanamide
CID 114875681
N-[1-(2,7-dioxooctan-4-ylamino)-7-(methylamino)-1-oxoheptan-3-yl]-3-methylheptanamide
CID 170598047

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2R)-1-hydroxyhexan-2-yl]-3-methyltetradecanamide?
The IUPAC name of (3R)-N-[(2R)-1-hydroxyhexan-2-yl]-3-methyltetradecanamide (CID 88590856) is (3R)-N-[(2R)-1-hydroxyhexan-2-yl]-3-methyltetradecanamide.
What is the SMILES notation for (3R)-N-[(2R)-1-hydroxyhexan-2-yl]-3-methyltetradecanamide?
The canonical SMILES for (3R)-N-[(2R)-1-hydroxyhexan-2-yl]-3-methyltetradecanamide is CCCCCCCCCCC[C@@H](C)CC(=O)N[C@@H](CO)CCCC.
What is the InChIKey of (3R)-N-[(2R)-1-hydroxyhexan-2-yl]-3-methyltetradecanamide?
The InChIKey is HJNFHFOUZJNVBI-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H43NO2/c1-4-6-8-9-10-11-12-13-14-15-19(3)17-21(24)22-20(18-23)16-7-5-2/h19-20,23H,4-18H2,1-3H3,(H,22,24)/t19-,20-/m1/s1.
What are the key properties of (3R)-N-[(2R)-1-hydroxyhexan-2-yl]-3-methyltetradecanamide?
(3R)-N-[(2R)-1-hydroxyhexan-2-yl]-3-methyltetradecanamide has a molecular weight of 341.58 g/mol, XLogP of 5.60, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2R)-1-hydroxyhexan-2-yl]-3-methyltetradecanamide is sourced from PubChem (CID 88590856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).