N-ethyl-N-(3-hydroxypropyl)heptanamide

C12H25NO2 — CID 115771582

IUPACN-ethyl-N-(3-hydroxypropyl)heptanamide
SMILESCCCCCCC(=O)N(CC)CCCO
InChIInChI=1S/C12H25NO2/c1-3-5-6-7-9-12(15)13(4-2)10-8-11-14/h14H,3-11H2,1-2H3
InChIKeyXQUQONGYJKHCSI-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.19
Rot. Bonds9

About N-ethyl-N-(3-hydroxypropyl)heptanamide

N-ethyl-N-(3-hydroxypropyl)heptanamide (PubChem CID 115771582) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-ethyl-N-(3-hydroxypropyl)heptanamide.

Molecular Properties

Compound NameN-ethyl-N-(3-hydroxypropyl)heptanamide
PubChem CID115771582
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-ethyl-N-(3-hydroxypropyl)heptanamide
SMILESCCCCCCC(=O)N(CC)CCCO
InChIInChI=1S/C12H25NO2/c1-3-5-6-7-9-12(15)13(4-2)10-8-11-14/h14H,3-11H2,1-2H3
InChIKeyXQUQONGYJKHCSI-UHFFFAOYSA-N
XLogP2.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-(3-hydroxypropyl)decanamide
CID 115771581
N,N-bis(3-hydroxypropyl)icosanamide
CID 102118836
N-[2-[hexadecanoyl(3-hydroxypropyl)amino]ethyl]-N-(3-hydroxypropyl)hexadecanamide
CID 18787706
N-(3-aminopropyl)-N-ethyldecanamide
CID 65447961
N-ethyl-N-octylbutanamide
CID 138793187
N-hexyl-8-[5-hydroxypentyl(octyl)amino]-N-octyloctanamide
CID 169189818
N,N-didecyl-6-[[6-(didecylamino)-6-oxohexyl]-(5-hydroxypentyl)amino]hexanamide
CID 168943837
N,N-di(nonyl)octanamide
CID 533141
N-butyl-N-ethylpentanamide
CID 4629847
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-dioctyltetradecanamide
CID 169083302
4-amino-N-heptyl-N-(3-hydroxypropyl)butanamide
CID 54874426

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-hydroxypropyl)heptanamide?
The IUPAC name of N-ethyl-N-(3-hydroxypropyl)heptanamide (CID 115771582) is N-ethyl-N-(3-hydroxypropyl)heptanamide.
What is the SMILES notation for N-ethyl-N-(3-hydroxypropyl)heptanamide?
The canonical SMILES for N-ethyl-N-(3-hydroxypropyl)heptanamide is CCCCCCC(=O)N(CC)CCCO.
What is the InChIKey of N-ethyl-N-(3-hydroxypropyl)heptanamide?
The InChIKey is XQUQONGYJKHCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-3-5-6-7-9-12(15)13(4-2)10-8-11-14/h14H,3-11H2,1-2H3.
What are the key properties of N-ethyl-N-(3-hydroxypropyl)heptanamide?
N-ethyl-N-(3-hydroxypropyl)heptanamide has a molecular weight of 215.34 g/mol, XLogP of 2.19, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-hydroxypropyl)heptanamide is sourced from PubChem (CID 115771582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).