N-decyl-N-tetradecylacetamide;hexane;methoxy(dimethyl)phosphane;propan-2-ol

C38H84NO3P — CID 170646135

IUPACN-decyl-N-tetradecylacetamide;hexane;methoxy(dimethyl)phosphane;propan-2-ol
SMILESCC(C)O.CCCCCC.CCCCCCCCCCCCCCN(CCCCCCCCCC)C(C)=O.COP(C)C
InChIInChI=1S/C26H53NO.C6H14.C3H9OP.C3H8O/c1-4-6-8-10-12-14-15-16-17-19-21-23-25-27(26(3)28)24-22-20-18-13-11-9-7-5-2;1-3-5-6-4-2;1-4-5(2)3;1-3(2)4/h4-25H2,1-3H3;3-6H2,1-2H3;1-3H3;3-4H,1-2H3
InChIKeyJLHFILLCSOXBCY-UHFFFAOYSA-N
MW634.07 g/mol
LogP12.94
Rot. Bonds26

About N-decyl-N-tetradecylacetamide;hexane;methoxy(dimethyl)phosphane;propan-2-ol

N-decyl-N-tetradecylacetamide;hexane;methoxy(dimethyl)phosphane;propan-2-ol (PubChem CID 170646135) has the molecular formula C38H84NO3P and a molecular weight of 634.07 g/mol. Its IUPAC name is N-decyl-N-tetradecylacetamide;hexane;methoxy(dimethyl)phosphane;propan-2-ol.

Molecular Properties

Compound NameN-decyl-N-tetradecylacetamide;hexane;methoxy(dimethyl)phosphane;propan-2-ol
PubChem CID170646135
Molecular FormulaC38H84NO3P
Molecular Weight634.07 g/mol
Exact Mass633.62
IUPAC NameN-decyl-N-tetradecylacetamide;hexane;methoxy(dimethyl)phosphane;propan-2-ol
SMILESCC(C)O.CCCCCC.CCCCCCCCCCCCCCN(CCCCCCCCCC)C(C)=O.COP(C)C
InChIInChI=1S/C26H53NO.C6H14.C3H9OP.C3H8O/c1-4-6-8-10-12-14-15-16-17-19-21-23-25-27(26(3)28)24-22-20-18-13-11-9-7-5-2;1-3-5-6-4-2;1-4-5(2)3;1-3(2)4/h4-25H2,1-3H3;3-6H2,1-2H3;1-3H3;3-4H,1-2H3
InChIKeyJLHFILLCSOXBCY-UHFFFAOYSA-N
XLogP12.94
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds26
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.07
LogP ≤ 512.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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,N-di(icosyl)acetamide
CID 57063838
N-heptadecyl-N-tridecylacetamide
CID 172567567
N,N-di(pentadecyl)acetamide
CID 174726671
N-butyl-N-heptylacetamide
CID 91713167
methyl 5-[acetyl(dodecyl)amino]pentanoate
CID 14219899
N-(2-aminoethyl)-N-hexylacetamide
CID 174728155
N,N-didodecyl-2-hydroxyoctadecanamide
CID 175541857
(2R,3R)-N,N,N',N'-tetrahexyl-2,3-dimethoxybutanediamide
CID 11420901
N-(3-amino-3-sulfanylidenepropyl)-N-hexylacetamide
CID 82103796
N,N,N',N'-tetrahexyloxamide
CID 6424911
N-decyl-N-(2-methoxyethyl)-2-methylpropanamide
CID 10039592
octane;propan-2-ol
CID 160746796

Frequently Asked Questions

What is the IUPAC name of N-decyl-N-tetradecylacetamide;hexane;methoxy(dimethyl)phosphane;propan-2-ol?
The IUPAC name of N-decyl-N-tetradecylacetamide;hexane;methoxy(dimethyl)phosphane;propan-2-ol (CID 170646135) is N-decyl-N-tetradecylacetamide;hexane;methoxy(dimethyl)phosphane;propan-2-ol.
What is the SMILES notation for N-decyl-N-tetradecylacetamide;hexane;methoxy(dimethyl)phosphane;propan-2-ol?
The canonical SMILES for N-decyl-N-tetradecylacetamide;hexane;methoxy(dimethyl)phosphane;propan-2-ol is CC(C)O.CCCCCC.CCCCCCCCCCCCCCN(CCCCCCCCCC)C(C)=O.COP(C)C.
What is the InChIKey of N-decyl-N-tetradecylacetamide;hexane;methoxy(dimethyl)phosphane;propan-2-ol?
The InChIKey is JLHFILLCSOXBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H53NO.C6H14.C3H9OP.C3H8O/c1-4-6-8-10-12-14-15-16-17-19-21-23-25-27(26(3)28)24-22-20-18-13-11-9-7-5-2;1-3-5-6-4-2;1-4-5(2)3;1-3(2)4/h4-25H2,1-3H3;3-6H2,1-2H3;1-3H3;3-4H,1-2H3.
What are the key properties of N-decyl-N-tetradecylacetamide;hexane;methoxy(dimethyl)phosphane;propan-2-ol?
N-decyl-N-tetradecylacetamide;hexane;methoxy(dimethyl)phosphane;propan-2-ol has a molecular weight of 634.07 g/mol, XLogP of 12.94, 26 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-N-tetradecylacetamide;hexane;methoxy(dimethyl)phosphane;propan-2-ol is sourced from PubChem (CID 170646135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).