N-methylmethanamine;octadecanamide;propyl 2-hydroxypropanoate

C26H56N2O4 — CID 87453878

IUPACN-methylmethanamine;octadecanamide;propyl 2-hydroxypropanoate
SMILESCCCCCCCCCCCCCCCCCC(N)=O.CCCOC(=O)C(C)O.CNC
InChIInChI=1S/C18H37NO.C6H12O3.C2H7N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-4-9-6(8)5(2)7;1-3-2/h2-17H2,1H3,(H2,19,20);5,7H,3-4H2,1-2H3;3H,1-2H3
InChIKeyPZCACUNOHQTDDE-UHFFFAOYSA-N
MW460.74 g/mol
LogP5.89
Rot. Bonds19

About N-methylmethanamine;octadecanamide;propyl 2-hydroxypropanoate

N-methylmethanamine;octadecanamide;propyl 2-hydroxypropanoate (PubChem CID 87453878) has the molecular formula C26H56N2O4 and a molecular weight of 460.74 g/mol. Its IUPAC name is N-methylmethanamine;octadecanamide;propyl 2-hydroxypropanoate.

Molecular Properties

Compound NameN-methylmethanamine;octadecanamide;propyl 2-hydroxypropanoate
PubChem CID87453878
Molecular FormulaC26H56N2O4
Molecular Weight460.74 g/mol
Exact Mass460.42
IUPAC NameN-methylmethanamine;octadecanamide;propyl 2-hydroxypropanoate
SMILESCCCCCCCCCCCCCCCCCC(N)=O.CCCOC(=O)C(C)O.CNC
InChIInChI=1S/C18H37NO.C6H12O3.C2H7N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-4-9-6(8)5(2)7;1-3-2/h2-17H2,1H3,(H2,19,20);5,7H,3-4H2,1-2H3;3H,1-2H3
InChIKeyPZCACUNOHQTDDE-UHFFFAOYSA-N
XLogP5.89
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.74
LogP ≤ 55.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

hexadecanamide;2-hydroxypropanoic acid;N-methylmethanamine
CID 174723566
dodecanamide;N-methylmethanamine
CID 159337435
octadecanamide;bis(propan-2-ol)
CID 90014672
octadecyl 2-hydroxypropanoate;zinc
CID 174699116
tetradecyl 2-hydroxypropanoate;tetradecyl tetradecanoate
CID 89266925
lithium;hexadecyl 2-hydroxypropanoate;hydride
CID 174573457
tetrapentacontanamide
CID 139682680
tetradecanamide
CID 175692014
nonacosanamide
CID 21105912
2-(2-octoxyethoxy)ethyl 2-hydroxypropanoate
CID 122514665
2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethyl 2-hydroxypropanoate
CID 56949346
ethane-1,2-diamine;bis(octadecanamide)
CID 22256983

Frequently Asked Questions

What is the IUPAC name of N-methylmethanamine;octadecanamide;propyl 2-hydroxypropanoate?
The IUPAC name of N-methylmethanamine;octadecanamide;propyl 2-hydroxypropanoate (CID 87453878) is N-methylmethanamine;octadecanamide;propyl 2-hydroxypropanoate.
What is the SMILES notation for N-methylmethanamine;octadecanamide;propyl 2-hydroxypropanoate?
The canonical SMILES for N-methylmethanamine;octadecanamide;propyl 2-hydroxypropanoate is CCCCCCCCCCCCCCCCCC(N)=O.CCCOC(=O)C(C)O.CNC.
What is the InChIKey of N-methylmethanamine;octadecanamide;propyl 2-hydroxypropanoate?
The InChIKey is PZCACUNOHQTDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO.C6H12O3.C2H7N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-4-9-6(8)5(2)7;1-3-2/h2-17H2,1H3,(H2,19,20);5,7H,3-4H2,1-2H3;3H,1-2H3.
What are the key properties of N-methylmethanamine;octadecanamide;propyl 2-hydroxypropanoate?
N-methylmethanamine;octadecanamide;propyl 2-hydroxypropanoate has a molecular weight of 460.74 g/mol, XLogP of 5.89, 19 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanamine;octadecanamide;propyl 2-hydroxypropanoate is sourced from PubChem (CID 87453878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).