2-ethyl-N,N-dihydroxypentadecanamide;phosphoric acid

C17H38NO7P — CID 175200186

IUPAC2-ethyl-N,N-dihydroxypentadecanamide;phosphoric acid
SMILESCCCCCCCCCCCCCC(CC)C(=O)N(O)O.O=P(O)(O)O
InChIInChI=1S/C17H35NO3.H3O4P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(4-2)17(19)18(20)21;1-5(2,3)4/h16,20-21H,3-15H2,1-2H3;(H3,1,2,3,4)
InChIKeyNBKWUYTXBNSYGB-UHFFFAOYSA-N
MW399.47 g/mol
LogP4.39
Rot. Bonds14

About 2-ethyl-N,N-dihydroxypentadecanamide;phosphoric acid

2-ethyl-N,N-dihydroxypentadecanamide;phosphoric acid (PubChem CID 175200186) has the molecular formula C17H38NO7P and a molecular weight of 399.47 g/mol. Its IUPAC name is 2-ethyl-N,N-dihydroxypentadecanamide;phosphoric acid.

Molecular Properties

Compound Name2-ethyl-N,N-dihydroxypentadecanamide;phosphoric acid
PubChem CID175200186
Molecular FormulaC17H38NO7P
Molecular Weight399.47 g/mol
Exact Mass399.24
IUPAC Name2-ethyl-N,N-dihydroxypentadecanamide;phosphoric acid
SMILESCCCCCCCCCCCCCC(CC)C(=O)N(O)O.O=P(O)(O)O
InChIInChI=1S/C17H35NO3.H3O4P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(4-2)17(19)18(20)21;1-5(2,3)4/h16,20-21H,3-15H2,1-2H3;(H3,1,2,3,4)
InChIKeyNBKWUYTXBNSYGB-UHFFFAOYSA-N
XLogP4.39
TPSA138.53 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 54.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-(dihydroxycarbamoyl)hexadecylphosphonic acid
CID 175366077
2-ethyl-N,N-bis(hydroxymethyl)decanamide
CID 139887025
4-(dihydroxycarbamoyl)nonanoic acid
CID 175189999
7,10-diethylhexadecane-8,9-dione
CID 150805323
(2R)-2-ethyldodecanoic acid
CID 98093060
2-ethyloctanoic acid;hexakis(hexane)
CID 173225823
(4S)-4-ethyldecan-3-one
CID 134895926
N-butanoyl-2-ethylnonanehydrazide
CID 175590843
5-ethylundecan-4-one
CID 11687075
2-ethyldecanethioic S-acid
CID 20634435
2-ethyl-N,N-dimethylhexanamide
CID 3019000
dodecane;phosphoric acid
CID 88801558

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,N-dihydroxypentadecanamide;phosphoric acid?
The IUPAC name of 2-ethyl-N,N-dihydroxypentadecanamide;phosphoric acid (CID 175200186) is 2-ethyl-N,N-dihydroxypentadecanamide;phosphoric acid.
What is the SMILES notation for 2-ethyl-N,N-dihydroxypentadecanamide;phosphoric acid?
The canonical SMILES for 2-ethyl-N,N-dihydroxypentadecanamide;phosphoric acid is CCCCCCCCCCCCCC(CC)C(=O)N(O)O.O=P(O)(O)O.
What is the InChIKey of 2-ethyl-N,N-dihydroxypentadecanamide;phosphoric acid?
The InChIKey is NBKWUYTXBNSYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO3.H3O4P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(4-2)17(19)18(20)21;1-5(2,3)4/h16,20-21H,3-15H2,1-2H3;(H3,1,2,3,4).
What are the key properties of 2-ethyl-N,N-dihydroxypentadecanamide;phosphoric acid?
2-ethyl-N,N-dihydroxypentadecanamide;phosphoric acid has a molecular weight of 399.47 g/mol, XLogP of 4.39, 14 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,N-dihydroxypentadecanamide;phosphoric acid is sourced from PubChem (CID 175200186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).