N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide

C12H25NO2 — CID 79252664

IUPACN-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide
SMILESCCCCCCC(=O)N[C@H](CO)C(C)C
InChIInChI=1S/C12H25NO2/c1-4-5-6-7-8-12(15)13-11(9-14)10(2)3/h10-11,14H,4-9H2,1-3H3,(H,13,15)/t11-/m1/s1
InChIKeyLRHMHOGIFVGINY-LLVKDONJSA-N
MW215.34 g/mol
LogP2.09
Rot. Bonds8

About N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide (PubChem CID 79252664) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide
PubChem CID79252664
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide
SMILESCCCCCCC(=O)N[C@H](CO)C(C)C
InChIInChI=1S/C12H25NO2/c1-4-5-6-7-8-12(15)13-11(9-14)10(2)3/h10-11,14H,4-9H2,1-3H3,(H,13,15)/t11-/m1/s1
InChIKeyLRHMHOGIFVGINY-LLVKDONJSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.09
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

N-(1-hydroxy-3-methylbutan-2-yl)hexadecanamide
CID 21299171
(Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]hexadec-7-enamide
CID 122518187
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]nonadec-10-enamide
CID 173063108
N-[(2R)-1-hydroxy-3-methyloctadecan-2-yl]hexadecanamide
CID 90449017
N-(1-bromo-3-methylbutan-2-yl)dodecanamide
CID 114316280
7-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide
CID 79250170
N-(1-chloro-3-methylbutan-2-yl)hexanamide
CID 114305402
N-(1-hydroxypropan-2-yl)heptanamide
CID 43418581
N-[(2S,3R)-1,3-dihydroxypentadecan-2-yl]nonadecanamide
CID 134748261
N-(1,3-dihydroxyheptadecan-2-yl)henicosanamide
CID 132994418
N-(1,3-dihydroxydocosan-2-yl)tridecanamide
CID 132994852
N-(1,3-dihydroxynonacosan-2-yl)hexadecanamide
CID 138272170

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide (CID 79252664) is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide is CCCCCCC(=O)N[C@H](CO)C(C)C.
What is the InChIKey of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide?
The InChIKey is LRHMHOGIFVGINY-LLVKDONJSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-5-6-7-8-12(15)13-11(9-14)10(2)3/h10-11,14H,4-9H2,1-3H3,(H,13,15)/t11-/m1/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide?
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide has a molecular weight of 215.34 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide is sourced from PubChem (CID 79252664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).