N-(1-hydroxyoctan-2-yl)dodecanamide;oxido-oxo-(2-phenylmethoxyethoxy)phosphanium

C29H52NO6P — CID 159166605

IUPACN-(1-hydroxyoctan-2-yl)dodecanamide;oxido-oxo-(2-phenylmethoxyethoxy)phosphanium
SMILESCCCCCCCCCCCC(=O)NC(CO)CCCCCC.O=[P+]([O-])OCCOCc1ccccc1
InChIInChI=1S/C20H41NO2.C9H11O4P/c1-3-5-7-9-10-11-12-13-15-17-20(23)21-19(18-22)16-14-8-6-4-2;10-14(11)13-7-6-12-8-9-4-2-1-3-5-9/h19,22H,3-18H2,1-2H3,(H,21,23);1-5H,6-8H2
InChIKeyKLDNYVNVLGXJAW-UHFFFAOYSA-N
MW541.71 g/mol
LogP6.59
Rot. Bonds23

About N-(1-hydroxyoctan-2-yl)dodecanamide;oxido-oxo-(2-phenylmethoxyethoxy)phosphanium

N-(1-hydroxyoctan-2-yl)dodecanamide;oxido-oxo-(2-phenylmethoxyethoxy)phosphanium (PubChem CID 159166605) has the molecular formula C29H52NO6P and a molecular weight of 541.71 g/mol. Its IUPAC name is N-(1-hydroxyoctan-2-yl)dodecanamide;oxido-oxo-(2-phenylmethoxyethoxy)phosphanium.

Molecular Properties

Compound NameN-(1-hydroxyoctan-2-yl)dodecanamide;oxido-oxo-(2-phenylmethoxyethoxy)phosphanium
PubChem CID159166605
Molecular FormulaC29H52NO6P
Molecular Weight541.71 g/mol
Exact Mass541.35
IUPAC NameN-(1-hydroxyoctan-2-yl)dodecanamide;oxido-oxo-(2-phenylmethoxyethoxy)phosphanium
SMILESCCCCCCCCCCCC(=O)NC(CO)CCCCCC.O=[P+]([O-])OCCOCc1ccccc1
InChIInChI=1S/C20H41NO2.C9H11O4P/c1-3-5-7-9-10-11-12-13-15-17-20(23)21-19(18-22)16-14-8-6-4-2;10-14(11)13-7-6-12-8-9-4-2-1-3-5-9/h19,22H,3-18H2,1-2H3,(H,21,23);1-5H,6-8H2
InChIKeyKLDNYVNVLGXJAW-UHFFFAOYSA-N
XLogP6.59
TPSA107.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.71
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(1-hydroxydecan-2-yl)decane-1-sulfonamide;oxido-oxo-(2-phenylmethoxyethoxy)phosphanium
CID 161269109
N-[(2R)-1-hydroxyhexan-2-yl]decane-1-sulfonamide;oxido-oxo-(2-phenylmethoxyethoxy)phosphanium
CID 163807610
CID 67677034
CID 67677034
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]octanamide
CID 102673841
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]heptanamide
CID 42364081
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]hexadecanamide
CID 15667273
[1-[(1-hydroxy-3-phenylmethoxypropan-2-yl)amino]-1-oxotetradecan-3-yl] tetradecanoate
CID 22053231
N-(2-phenylmethoxyethyl)octadecanamide
CID 3875168
[(2R)-3-phenylmethoxy-2-(tetradecanoylamino)propyl] (3R)-3-hydroxydecanoate
CID 59055156
tetradecyl (2S)-2-(hexadecanoylamino)-3-phenylmethoxypropanoate
CID 156633534
N-[(2S)-1-hydroxyoctadecan-2-yl]-31-oxotetratetracontanamide
CID 57043708
N-[(2S)-1-hydroxyoctadecan-2-yl]-31-oxohexatetracontanamide
CID 57005666

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxyoctan-2-yl)dodecanamide;oxido-oxo-(2-phenylmethoxyethoxy)phosphanium?
The IUPAC name of N-(1-hydroxyoctan-2-yl)dodecanamide;oxido-oxo-(2-phenylmethoxyethoxy)phosphanium (CID 159166605) is N-(1-hydroxyoctan-2-yl)dodecanamide;oxido-oxo-(2-phenylmethoxyethoxy)phosphanium.
What is the SMILES notation for N-(1-hydroxyoctan-2-yl)dodecanamide;oxido-oxo-(2-phenylmethoxyethoxy)phosphanium?
The canonical SMILES for N-(1-hydroxyoctan-2-yl)dodecanamide;oxido-oxo-(2-phenylmethoxyethoxy)phosphanium is CCCCCCCCCCCC(=O)NC(CO)CCCCCC.O=[P+]([O-])OCCOCc1ccccc1.
What is the InChIKey of N-(1-hydroxyoctan-2-yl)dodecanamide;oxido-oxo-(2-phenylmethoxyethoxy)phosphanium?
The InChIKey is KLDNYVNVLGXJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO2.C9H11O4P/c1-3-5-7-9-10-11-12-13-15-17-20(23)21-19(18-22)16-14-8-6-4-2;10-14(11)13-7-6-12-8-9-4-2-1-3-5-9/h19,22H,3-18H2,1-2H3,(H,21,23);1-5H,6-8H2.
What are the key properties of N-(1-hydroxyoctan-2-yl)dodecanamide;oxido-oxo-(2-phenylmethoxyethoxy)phosphanium?
N-(1-hydroxyoctan-2-yl)dodecanamide;oxido-oxo-(2-phenylmethoxyethoxy)phosphanium has a molecular weight of 541.71 g/mol, XLogP of 6.59, 23 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxyoctan-2-yl)dodecanamide;oxido-oxo-(2-phenylmethoxyethoxy)phosphanium is sourced from PubChem (CID 159166605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).