N-(1-hydroxypropan-2-yl)heptanamide

C10H21NO2 — CID 43418581

IUPACN-(1-hydroxypropan-2-yl)heptanamide
SMILESCCCCCCC(=O)NC(C)CO
InChIInChI=1S/C10H21NO2/c1-3-4-5-6-7-10(13)11-9(2)8-12/h9,12H,3-8H2,1-2H3,(H,11,13)
InChIKeyLCYBEEKIBDQRGZ-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.45
Rot. Bonds7

About N-(1-hydroxypropan-2-yl)heptanamide

N-(1-hydroxypropan-2-yl)heptanamide (PubChem CID 43418581) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)heptanamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)heptanamide
PubChem CID43418581
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-(1-hydroxypropan-2-yl)heptanamide
SMILESCCCCCCC(=O)NC(C)CO
InChIInChI=1S/C10H21NO2/c1-3-4-5-6-7-10(13)11-9(2)8-12/h9,12H,3-8H2,1-2H3,(H,11,13)
InChIKeyLCYBEEKIBDQRGZ-UHFFFAOYSA-N
XLogP1.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.45
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

(Z)-N-[(2R)-1-hydroxypropan-2-yl]docos-13-enamide
CID 53318751
N-(1-hydroxypropan-2-yl)tetracos-15-enamide
CID 173265118
(E)-N-[(2S)-1-hydroxypropan-2-yl]octadec-9-enamide
CID 66509136
N-pentan-2-ylundecanamide
CID 173258559
N-butan-2-ylhexacosanamide
CID 163047877
N-butan-2-ylnonanamide
CID 4188803
N-octadecan-2-ylhexadecanamide
CID 87600664
N-heptan-2-yldodecanamide
CID 3484810
(E)-N-[(2R)-1-hydroxypropan-2-yl]-10-oxooctadec-8-enamide
CID 53324035
ethane;hexadecanamide;N-(1-hydroxypropan-2-yl)-5-oxohexanamide
CID 170630599
N-(1-hydroxypropan-2-yl)-18-methylnonadecanamide
CID 18431763
N-[(2R)-1-aminopropan-2-yl]nonanamide
CID 104873041

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)heptanamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)heptanamide (CID 43418581) is N-(1-hydroxypropan-2-yl)heptanamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)heptanamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)heptanamide is CCCCCCC(=O)NC(C)CO.
What is the InChIKey of N-(1-hydroxypropan-2-yl)heptanamide?
The InChIKey is LCYBEEKIBDQRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-4-5-6-7-10(13)11-9(2)8-12/h9,12H,3-8H2,1-2H3,(H,11,13).
What are the key properties of N-(1-hydroxypropan-2-yl)heptanamide?
N-(1-hydroxypropan-2-yl)heptanamide has a molecular weight of 187.28 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)heptanamide is sourced from PubChem (CID 43418581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).