N-[5-(dimethylamino)-4-hydroxypentyl]octadecanamide;phosphoric acid

C25H55N2O6P — CID 174874893

IUPACN-[5-(dimethylamino)-4-hydroxypentyl]octadecanamide;phosphoric acid
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCCC(O)CN(C)C.O=P(O)(O)O
InChIInChI=1S/C25H52N2O2.H3O4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25(29)26-22-19-20-24(28)23-27(2)3;1-5(2,3)4/h24,28H,4-23H2,1-3H3,(H,26,29);(H3,1,2,3,4)
InChIKeyJTRXUGUZMNCFPB-UHFFFAOYSA-N
MW510.70 g/mol
LogP5.14
Rot. Bonds22

About N-[5-(dimethylamino)-4-hydroxypentyl]octadecanamide;phosphoric acid

N-[5-(dimethylamino)-4-hydroxypentyl]octadecanamide;phosphoric acid (PubChem CID 174874893) has the molecular formula C25H55N2O6P and a molecular weight of 510.70 g/mol. Its IUPAC name is N-[5-(dimethylamino)-4-hydroxypentyl]octadecanamide;phosphoric acid.

Molecular Properties

Compound NameN-[5-(dimethylamino)-4-hydroxypentyl]octadecanamide;phosphoric acid
PubChem CID174874893
Molecular FormulaC25H55N2O6P
Molecular Weight510.70 g/mol
Exact Mass510.38
IUPAC NameN-[5-(dimethylamino)-4-hydroxypentyl]octadecanamide;phosphoric acid
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCCC(O)CN(C)C.O=P(O)(O)O
InChIInChI=1S/C25H52N2O2.H3O4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25(29)26-22-19-20-24(28)23-27(2)3;1-5(2,3)4/h24,28H,4-23H2,1-3H3,(H,26,29);(H3,1,2,3,4)
InChIKeyJTRXUGUZMNCFPB-UHFFFAOYSA-N
XLogP5.14
TPSA130.33 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.70
LogP ≤ 55.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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-[3-(dimethylamino)propyl]tetradecanamide;phosphoric acid
CID 71587478
7-hydroxy-N-octadecyloctadecanamide
CID 57160535
N-(4,4-dihydroxybutyl)decanamide
CID 163472337
7-hydroxy-N-[2-(7-hydroxyoctadecanoylamino)ethyl]octadecanamide
CID 57266771
N-(16-hydroxyoctadecyl)decanamide
CID 90886549
N-(2-hydroxypropyl)dodecanamide;phosphoric acid
CID 175492996
N-[3-(dimethylamino)propyl]nonanamide
CID 3395805
N-(2-hydroxyethyl)hexadecanamide;phosphoric acid
CID 172708754
tris(N-[3-(diethylamino)propyl]dodecanamide);phosphoric acid
CID 173139559
N-[3-(triacontanoylamino)propyl]triacontanamide
CID 89373214
N-nonyltridecanamide
CID 154228217
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylamino)-4-hydroxypentyl]octadecanamide;phosphoric acid?
The IUPAC name of N-[5-(dimethylamino)-4-hydroxypentyl]octadecanamide;phosphoric acid (CID 174874893) is N-[5-(dimethylamino)-4-hydroxypentyl]octadecanamide;phosphoric acid.
What is the SMILES notation for N-[5-(dimethylamino)-4-hydroxypentyl]octadecanamide;phosphoric acid?
The canonical SMILES for N-[5-(dimethylamino)-4-hydroxypentyl]octadecanamide;phosphoric acid is CCCCCCCCCCCCCCCCCC(=O)NCCCC(O)CN(C)C.O=P(O)(O)O.
What is the InChIKey of N-[5-(dimethylamino)-4-hydroxypentyl]octadecanamide;phosphoric acid?
The InChIKey is JTRXUGUZMNCFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52N2O2.H3O4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25(29)26-22-19-20-24(28)23-27(2)3;1-5(2,3)4/h24,28H,4-23H2,1-3H3,(H,26,29);(H3,1,2,3,4).
What are the key properties of N-[5-(dimethylamino)-4-hydroxypentyl]octadecanamide;phosphoric acid?
N-[5-(dimethylamino)-4-hydroxypentyl]octadecanamide;phosphoric acid has a molecular weight of 510.70 g/mol, XLogP of 5.14, 22 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylamino)-4-hydroxypentyl]octadecanamide;phosphoric acid is sourced from PubChem (CID 174874893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).