N,N-didodecyl-2-hydroxyoctadecanamide

C42H85NO2 — CID 175541857

IUPACN,N-didodecyl-2-hydroxyoctadecanamide
SMILESCCCCCCCCCCCCCCCCC(O)C(=O)N(CCCCCCCCCCCC)CCCCCCCCCCCC
InChIInChI=1S/C42H85NO2/c1-4-7-10-13-16-19-22-23-24-25-26-29-32-35-38-41(44)42(45)43(39-36-33-30-27-20-17-14-11-8-5-2)40-37-34-31-28-21-18-15-12-9-6-3/h41,44H,4-40H2,1-3H3
InChIKeyMKMDPMNCFIHXFD-UHFFFAOYSA-N
MW636.15 g/mol
LogP13.89
Rot. Bonds38

About N,N-didodecyl-2-hydroxyoctadecanamide

N,N-didodecyl-2-hydroxyoctadecanamide (PubChem CID 175541857) has the molecular formula C42H85NO2 and a molecular weight of 636.15 g/mol. Its IUPAC name is N,N-didodecyl-2-hydroxyoctadecanamide.

Molecular Properties

Compound NameN,N-didodecyl-2-hydroxyoctadecanamide
PubChem CID175541857
Molecular FormulaC42H85NO2
Molecular Weight636.15 g/mol
Exact Mass635.66
IUPAC NameN,N-didodecyl-2-hydroxyoctadecanamide
SMILESCCCCCCCCCCCCCCCCC(O)C(=O)N(CCCCCCCCCCCC)CCCCCCCCCCCC
InChIInChI=1S/C42H85NO2/c1-4-7-10-13-16-19-22-23-24-25-26-29-32-35-38-41(44)42(45)43(39-36-33-30-27-20-17-14-11-8-5-2)40-37-34-31-28-21-18-15-12-9-6-3/h41,44H,4-40H2,1-3H3
InChIKeyMKMDPMNCFIHXFD-UHFFFAOYSA-N
XLogP13.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds38
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.15
LogP ≤ 513.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(dioctylamino)-1-oxodecan-2-yl]phosphonic acid
CID 118059914
2,2-dichloro-N,N-dihexylacetamide
CID 533320
2-amino-N,N-dihexylpropanamide
CID 54872127
2-chloro-N,N-dihexylpropanamide
CID 533081
2,3-dihydroxy-N',N'-dioctylbutanediamide
CID 54049006
2-dodecyl-N,N-dihexylbutanediamide
CID 139888194
(2R,3R)-N,N,N',N'-tetrahexyl-2,3-dimethoxybutanediamide
CID 11420901
(2R)-2-amino-N,N-dipentylpentanamide
CID 93372351
2-hydroxydecanoic acid
CID 161255514
3-hydroxydecan-2-one
CID 12524096
2-hydroxyoctadecanoic acid
CID 87724091
(2R)-2-hydroxydecanoic acid
CID 13144006

Frequently Asked Questions

What is the IUPAC name of N,N-didodecyl-2-hydroxyoctadecanamide?
The IUPAC name of N,N-didodecyl-2-hydroxyoctadecanamide (CID 175541857) is N,N-didodecyl-2-hydroxyoctadecanamide.
What is the SMILES notation for N,N-didodecyl-2-hydroxyoctadecanamide?
The canonical SMILES for N,N-didodecyl-2-hydroxyoctadecanamide is CCCCCCCCCCCCCCCCC(O)C(=O)N(CCCCCCCCCCCC)CCCCCCCCCCCC.
What is the InChIKey of N,N-didodecyl-2-hydroxyoctadecanamide?
The InChIKey is MKMDPMNCFIHXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H85NO2/c1-4-7-10-13-16-19-22-23-24-25-26-29-32-35-38-41(44)42(45)43(39-36-33-30-27-20-17-14-11-8-5-2)40-37-34-31-28-21-18-15-12-9-6-3/h41,44H,4-40H2,1-3H3.
What are the key properties of N,N-didodecyl-2-hydroxyoctadecanamide?
N,N-didodecyl-2-hydroxyoctadecanamide has a molecular weight of 636.15 g/mol, XLogP of 13.89, 38 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-didodecyl-2-hydroxyoctadecanamide is sourced from PubChem (CID 175541857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).