N-(2,3-dihydroxypropyl)-N-hexadecyl-2-methylheptanamide

C27H55NO3 — CID 10310351

IUPACN-(2,3-dihydroxypropyl)-N-hexadecyl-2-methylheptanamide
SMILESCCCCCCCCCCCCCCCCN(CC(O)CO)C(=O)C(C)CCCCC
InChIInChI=1S/C27H55NO3/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-20-22-28(23-26(30)24-29)27(31)25(3)21-19-7-5-2/h25-26,29-30H,4-24H2,1-3H3
InChIKeyOYDYQJABNFHIRF-UHFFFAOYSA-N
MW441.74 g/mol
LogP6.87
Rot. Bonds23

About N-(2,3-dihydroxypropyl)-N-hexadecyl-2-methylheptanamide

N-(2,3-dihydroxypropyl)-N-hexadecyl-2-methylheptanamide (PubChem CID 10310351) has the molecular formula C27H55NO3 and a molecular weight of 441.74 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-N-hexadecyl-2-methylheptanamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-N-hexadecyl-2-methylheptanamide
PubChem CID10310351
Molecular FormulaC27H55NO3
Molecular Weight441.74 g/mol
Exact Mass441.42
IUPAC NameN-(2,3-dihydroxypropyl)-N-hexadecyl-2-methylheptanamide
SMILESCCCCCCCCCCCCCCCCN(CC(O)CO)C(=O)C(C)CCCCC
InChIInChI=1S/C27H55NO3/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-20-22-28(23-26(30)24-29)27(31)25(3)21-19-7-5-2/h25-26,29-30H,4-24H2,1-3H3
InChIKeyOYDYQJABNFHIRF-UHFFFAOYSA-N
XLogP6.87
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.74
LogP ≤ 56.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydroxypropyl)-N-hexadecyl-2-hydroxypropanamide
CID 10150593
N-(2,3-dihydroxypropyl)-2-methyl-N-octadecan-5-ylhexadecanamide
CID 18999325
N-(2,3-dihydroxypropyl)-N-hexadecylhexanamide
CID 18999305
N-(2,3-dihydroxypropyl)-2-hydroxy-N-octadeca-9,12-dienylpropanamide
CID 91520523
5-amino-N,N-dihexyl-2-methylpentanamide
CID 104684478
N,N-didodecyl-2-hydroxyoctadecanamide
CID 175541857
4-amino-2-methyl-N,N-dipentylbutanamide
CID 80542996
N-(2,3-dihydroxypropyl)-3-ethyl-N-icos-8-enyloctanamide
CID 54159399
(2S)-3-[[(2S)-2,3-dihydroxypropyl]-dodecylamino]propane-1,2-diol
CID 91864838
N,N-dibutyl-2-methylpentanamide
CID 2904869
2,3-dihydroxypropyl 2-methyltetradecanoate
CID 71388379
carbonic acid;octane-1,2-diol
CID 87196944

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-N-hexadecyl-2-methylheptanamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-N-hexadecyl-2-methylheptanamide (CID 10310351) is N-(2,3-dihydroxypropyl)-N-hexadecyl-2-methylheptanamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-N-hexadecyl-2-methylheptanamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-N-hexadecyl-2-methylheptanamide is CCCCCCCCCCCCCCCCN(CC(O)CO)C(=O)C(C)CCCCC.
What is the InChIKey of N-(2,3-dihydroxypropyl)-N-hexadecyl-2-methylheptanamide?
The InChIKey is OYDYQJABNFHIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H55NO3/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-20-22-28(23-26(30)24-29)27(31)25(3)21-19-7-5-2/h25-26,29-30H,4-24H2,1-3H3.
What are the key properties of N-(2,3-dihydroxypropyl)-N-hexadecyl-2-methylheptanamide?
N-(2,3-dihydroxypropyl)-N-hexadecyl-2-methylheptanamide has a molecular weight of 441.74 g/mol, XLogP of 6.87, 23 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-N-hexadecyl-2-methylheptanamide is sourced from PubChem (CID 10310351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).