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

C10H21NO2 — CID 139307065

IUPACN-(2-hydroxypropan-2-yl)heptanamide
SMILESCCCCCCC(=O)NC(C)(C)O
InChIInChI=1S/C10H21NO2/c1-4-5-6-7-8-9(12)11-10(2,3)13/h13H,4-8H2,1-3H3,(H,11,12)
InChIKeyPDGQCTANSAVLRJ-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.80
Rot. Bonds6

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

N-(2-hydroxypropan-2-yl)heptanamide (PubChem CID 139307065) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-(2-hydroxypropan-2-yl)heptanamide.

Molecular Properties

Compound NameN-(2-hydroxypropan-2-yl)heptanamide
PubChem CID139307065
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-(2-hydroxypropan-2-yl)heptanamide
SMILESCCCCCCC(=O)NC(C)(C)O
InChIInChI=1S/C10H21NO2/c1-4-5-6-7-8-9(12)11-10(2,3)13/h13H,4-8H2,1-3H3,(H,11,12)
InChIKeyPDGQCTANSAVLRJ-UHFFFAOYSA-N
XLogP1.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-hydroxy-2-methylpropan-2-yl)dodecanamide
CID 13410459
N-(3-methylpentan-3-yl)hexanamide
CID 90883485
N-(2-methylbut-3-yn-2-yl)dodecanamide
CID 65426604
N-(2-amino-3-hydroxy-2-methylhexan-3-yl)octadecanamide
CID 18521143
N-(1-bromo-2-methylbutan-2-yl)nonanamide
CID 114314390
N-[2-(ethylamino)butan-2-yl]icosanamide
CID 158301838
carbanide;N-(2-methylbutan-2-yl)hexadecanamide;osmium(2+)
CID 162756448
N-decanoyldecanamide
CID 87914075
1-N',9-N'-di(heptanoyl)nonanedihydrazide
CID 154340616
N-[3-(hydroxymethyl)pentan-3-yl]octanamide
CID 55082633
N-[3-(hydroxymethyl)pentan-3-yl]dodecanamide
CID 65427888
N-(1-amino-2,3-dimethylbutan-2-yl)octanamide
CID 81486540

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropan-2-yl)heptanamide?
The IUPAC name of N-(2-hydroxypropan-2-yl)heptanamide (CID 139307065) is N-(2-hydroxypropan-2-yl)heptanamide.
What is the SMILES notation for N-(2-hydroxypropan-2-yl)heptanamide?
The canonical SMILES for N-(2-hydroxypropan-2-yl)heptanamide is CCCCCCC(=O)NC(C)(C)O.
What is the InChIKey of N-(2-hydroxypropan-2-yl)heptanamide?
The InChIKey is PDGQCTANSAVLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-5-6-7-8-9(12)11-10(2,3)13/h13H,4-8H2,1-3H3,(H,11,12).
What are the key properties of N-(2-hydroxypropan-2-yl)heptanamide?
N-(2-hydroxypropan-2-yl)heptanamide has a molecular weight of 187.28 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropan-2-yl)heptanamide is sourced from PubChem (CID 139307065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).