N-(1,3-dihydroxypropyl)heptanamide

C10H21NO3 — CID 130176524

IUPACN-(1,3-dihydroxypropyl)heptanamide
SMILESCCCCCCC(=O)NC(O)CCO
InChIInChI=1S/C10H21NO3/c1-2-3-4-5-6-9(13)11-10(14)7-8-12/h10,12,14H,2-8H2,1H3,(H,11,13)
InChIKeyXUNKUZIFJKLXRA-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.77
Rot. Bonds8

About N-(1,3-dihydroxypropyl)heptanamide

N-(1,3-dihydroxypropyl)heptanamide (PubChem CID 130176524) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is N-(1,3-dihydroxypropyl)heptanamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropyl)heptanamide
PubChem CID130176524
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC NameN-(1,3-dihydroxypropyl)heptanamide
SMILESCCCCCCC(=O)NC(O)CCO
InChIInChI=1S/C10H21NO3/c1-2-3-4-5-6-9(13)11-10(14)7-8-12/h10,12,14H,2-8H2,1H3,(H,11,13)
InChIKeyXUNKUZIFJKLXRA-UHFFFAOYSA-N
XLogP0.77
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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CID 87762139
(2S)-2-(hexadecanoylamino)-4-hydroxybutanoic acid
CID 57494721
4-hydroxy-2-(nonanoylamino)butanoic acid
CID 61242764
(2S)-2-(dodecanoylamino)-4-hydroxybutanoic acid
CID 54204964
N-pentan-2-ylundecanamide
CID 173258559
(Z)-N-(1-hydroxypropyl)octadec-9-enamide
CID 159234063
N-(1-hydroxypropyl)octadec-9-enamide
CID 173100220
N-[(4S,5R)-1,5-dihydroxyicosan-4-yl]octadecanamide
CID 101190385
N-(1,3-dihydroxypropan-2-yl)tridecanamide
CID 87498301
N-octadecan-2-ylhexadecanamide
CID 87600664
N-heptan-2-yldodecanamide
CID 3484810
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide
CID 79252664

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropyl)heptanamide?
The IUPAC name of N-(1,3-dihydroxypropyl)heptanamide (CID 130176524) is N-(1,3-dihydroxypropyl)heptanamide.
What is the SMILES notation for N-(1,3-dihydroxypropyl)heptanamide?
The canonical SMILES for N-(1,3-dihydroxypropyl)heptanamide is CCCCCCC(=O)NC(O)CCO.
What is the InChIKey of N-(1,3-dihydroxypropyl)heptanamide?
The InChIKey is XUNKUZIFJKLXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-2-3-4-5-6-9(13)11-10(14)7-8-12/h10,12,14H,2-8H2,1H3,(H,11,13).
What are the key properties of N-(1,3-dihydroxypropyl)heptanamide?
N-(1,3-dihydroxypropyl)heptanamide has a molecular weight of 203.28 g/mol, XLogP of 0.77, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropyl)heptanamide is sourced from PubChem (CID 130176524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).