N-hexadecyl-6-[oxido(propan-2-yloxy)phosphinothioyl]oxyhexanamide

C25H51NO4PS- — CID 177289165

IUPACN-hexadecyl-6-[oxido(propan-2-yloxy)phosphinothioyl]oxyhexanamide
SMILESCCCCCCCCCCCCCCCCNC(=O)CCCCCOP([O-])(=S)OC(C)C
InChIInChI=1S/C25H52NO4PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-26-25(27)21-18-17-20-23-29-31(28,32)30-24(2)3/h24H,4-23H2,1-3H3,(H,26,27)(H,28,32)/p-1
InChIKeyOCZWJYNAOXKYHN-UHFFFAOYSA-M
MW492.73 g/mol
LogP7.17
Rot. Bonds24

About N-hexadecyl-6-[oxido(propan-2-yloxy)phosphinothioyl]oxyhexanamide

N-hexadecyl-6-[oxido(propan-2-yloxy)phosphinothioyl]oxyhexanamide (PubChem CID 177289165) has the molecular formula C25H51NO4PS- and a molecular weight of 492.73 g/mol. Its IUPAC name is N-hexadecyl-6-[oxido(propan-2-yloxy)phosphinothioyl]oxyhexanamide.

Molecular Properties

Compound NameN-hexadecyl-6-[oxido(propan-2-yloxy)phosphinothioyl]oxyhexanamide
PubChem CID177289165
Molecular FormulaC25H51NO4PS-
Molecular Weight492.73 g/mol
Exact Mass492.33
IUPAC NameN-hexadecyl-6-[oxido(propan-2-yloxy)phosphinothioyl]oxyhexanamide
SMILESCCCCCCCCCCCCCCCCNC(=O)CCCCCOP([O-])(=S)OC(C)C
InChIInChI=1S/C25H52NO4PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-26-25(27)21-18-17-20-23-29-31(28,32)30-24(2)3/h24H,4-23H2,1-3H3,(H,26,27)(H,28,32)/p-1
InChIKeyOCZWJYNAOXKYHN-UHFFFAOYSA-M
XLogP7.17
TPSA70.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.73
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-hexadecyl-6-[hydroxy(propan-2-yloxy)phosphinothioyl]oxyhexanamide
CID 177289166
methyl-[6-(pentacosanoylamino)hexoxy]phosphinic acid
CID 167537809
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-nonyltridecanamide
CID 154228217
N-pentylicosanamide
CID 139961886
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783

Frequently Asked Questions

What is the IUPAC name of N-hexadecyl-6-[oxido(propan-2-yloxy)phosphinothioyl]oxyhexanamide?
The IUPAC name of N-hexadecyl-6-[oxido(propan-2-yloxy)phosphinothioyl]oxyhexanamide (CID 177289165) is N-hexadecyl-6-[oxido(propan-2-yloxy)phosphinothioyl]oxyhexanamide.
What is the SMILES notation for N-hexadecyl-6-[oxido(propan-2-yloxy)phosphinothioyl]oxyhexanamide?
The canonical SMILES for N-hexadecyl-6-[oxido(propan-2-yloxy)phosphinothioyl]oxyhexanamide is CCCCCCCCCCCCCCCCNC(=O)CCCCCOP([O-])(=S)OC(C)C.
What is the InChIKey of N-hexadecyl-6-[oxido(propan-2-yloxy)phosphinothioyl]oxyhexanamide?
The InChIKey is OCZWJYNAOXKYHN-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H52NO4PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-26-25(27)21-18-17-20-23-29-31(28,32)30-24(2)3/h24H,4-23H2,1-3H3,(H,26,27)(H,28,32)/p-1.
What are the key properties of N-hexadecyl-6-[oxido(propan-2-yloxy)phosphinothioyl]oxyhexanamide?
N-hexadecyl-6-[oxido(propan-2-yloxy)phosphinothioyl]oxyhexanamide has a molecular weight of 492.73 g/mol, XLogP of 7.17, 24 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexadecyl-6-[oxido(propan-2-yloxy)phosphinothioyl]oxyhexanamide is sourced from PubChem (CID 177289165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).