N-(1-decoxyundecan-3-yl)-2,3-dihydroxypropanamide

C24H49NO4 — CID 57267470

IUPACN-(1-decoxyundecan-3-yl)-2,3-dihydroxypropanamide
SMILESCCCCCCCCCCOCCC(CCCCCCCC)NC(=O)C(O)CO
InChIInChI=1S/C24H49NO4/c1-3-5-7-9-11-12-14-16-19-29-20-18-22(25-24(28)23(27)21-26)17-15-13-10-8-6-4-2/h22-23,26-27H,3-21H2,1-2H3,(H,25,28)
InChIKeyVQKSHFMQOPJNOM-UHFFFAOYSA-N
MW415.66 g/mol
LogP5.12
Rot. Bonds22

About N-(1-decoxyundecan-3-yl)-2,3-dihydroxypropanamide

N-(1-decoxyundecan-3-yl)-2,3-dihydroxypropanamide (PubChem CID 57267470) has the molecular formula C24H49NO4 and a molecular weight of 415.66 g/mol. Its IUPAC name is N-(1-decoxyundecan-3-yl)-2,3-dihydroxypropanamide.

Molecular Properties

Compound NameN-(1-decoxyundecan-3-yl)-2,3-dihydroxypropanamide
PubChem CID57267470
Molecular FormulaC24H49NO4
Molecular Weight415.66 g/mol
Exact Mass415.37
IUPAC NameN-(1-decoxyundecan-3-yl)-2,3-dihydroxypropanamide
SMILESCCCCCCCCCCOCCC(CCCCCCCC)NC(=O)C(O)CO
InChIInChI=1S/C24H49NO4/c1-3-5-7-9-11-12-14-16-19-29-20-18-22(25-24(28)23(27)21-26)17-15-13-10-8-6-4-2/h22-23,26-27H,3-21H2,1-2H3,(H,25,28)
InChIKeyVQKSHFMQOPJNOM-UHFFFAOYSA-N
XLogP5.12
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.66
LogP ≤ 55.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)-4-octoxybutan-1-ol
CID 64811462
(2R,3R,4R,5S)-6-(1-decoxyundecan-3-ylamino)hexane-1,2,3,4,5-pentol
CID 21308139
acetic acid;1-hexoxyhexane;propane-1,2-diol
CID 87173314
tetracosan-7-ylcarbamic acid
CID 174971308
N-(1,3-dihydroxyhexacosan-2-yl)-2-hydroxynonacosanamide
CID 138191913
N-(1,3-dihydroxyhenicosan-2-yl)-2-hydroxyhexadecanamide
CID 138238433
N-(1,3-dihydroxyoctacosan-2-yl)-2-hydroxyheptacosanamide
CID 138189483
N-(1,3-dihydroxyheptacosan-2-yl)-2-hydroxydotetracontanamide
CID 138251603
N-(1,3-dihydroxypentacosan-2-yl)-2-hydroxynonadecanamide
CID 138295234
N-(1,3-dihydroxyhexadecan-2-yl)-2-hydroxytetradecanamide
CID 138167755
N-(1,3-dihydroxyhenicosan-2-yl)-2-hydroxyicosanamide
CID 138190449
N-(1,3-dihydroxypentadecan-2-yl)-2-hydroxynonadecanamide
CID 138124268

Frequently Asked Questions

What is the IUPAC name of N-(1-decoxyundecan-3-yl)-2,3-dihydroxypropanamide?
The IUPAC name of N-(1-decoxyundecan-3-yl)-2,3-dihydroxypropanamide (CID 57267470) is N-(1-decoxyundecan-3-yl)-2,3-dihydroxypropanamide.
What is the SMILES notation for N-(1-decoxyundecan-3-yl)-2,3-dihydroxypropanamide?
The canonical SMILES for N-(1-decoxyundecan-3-yl)-2,3-dihydroxypropanamide is CCCCCCCCCCOCCC(CCCCCCCC)NC(=O)C(O)CO.
What is the InChIKey of N-(1-decoxyundecan-3-yl)-2,3-dihydroxypropanamide?
The InChIKey is VQKSHFMQOPJNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49NO4/c1-3-5-7-9-11-12-14-16-19-29-20-18-22(25-24(28)23(27)21-26)17-15-13-10-8-6-4-2/h22-23,26-27H,3-21H2,1-2H3,(H,25,28).
What are the key properties of N-(1-decoxyundecan-3-yl)-2,3-dihydroxypropanamide?
N-(1-decoxyundecan-3-yl)-2,3-dihydroxypropanamide has a molecular weight of 415.66 g/mol, XLogP of 5.12, 22 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-decoxyundecan-3-yl)-2,3-dihydroxypropanamide is sourced from PubChem (CID 57267470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).