hexadecanamide;2-hydroxypropanoic acid;N-methylmethanamine

C21H46N2O4 — CID 174723566

IUPAChexadecanamide;2-hydroxypropanoic acid;N-methylmethanamine
SMILESCC(O)C(=O)O.CCCCCCCCCCCCCCCC(N)=O.CNC
InChIInChI=1S/C16H33NO.C3H6O3.C2H7N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-2(4)3(5)6;1-3-2/h2-15H2,1H3,(H2,17,18);2,4H,1H3,(H,5,6);3H,1-2H3
InChIKeySODVHDKHSBPVDN-UHFFFAOYSA-N
MW390.61 g/mol
LogP4.24
Rot. Bonds15

About hexadecanamide;2-hydroxypropanoic acid;N-methylmethanamine

hexadecanamide;2-hydroxypropanoic acid;N-methylmethanamine (PubChem CID 174723566) has the molecular formula C21H46N2O4 and a molecular weight of 390.61 g/mol. Its IUPAC name is hexadecanamide;2-hydroxypropanoic acid;N-methylmethanamine.

Molecular Properties

Compound Namehexadecanamide;2-hydroxypropanoic acid;N-methylmethanamine
PubChem CID174723566
Molecular FormulaC21H46N2O4
Molecular Weight390.61 g/mol
Exact Mass390.35
IUPAC Namehexadecanamide;2-hydroxypropanoic acid;N-methylmethanamine
SMILESCC(O)C(=O)O.CCCCCCCCCCCCCCCC(N)=O.CNC
InChIInChI=1S/C16H33NO.C3H6O3.C2H7N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-2(4)3(5)6;1-3-2/h2-15H2,1H3,(H2,17,18);2,4H,1H3,(H,5,6);3H,1-2H3
InChIKeySODVHDKHSBPVDN-UHFFFAOYSA-N
XLogP4.24
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.61
LogP ≤ 54.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dodecanamide;N-methylmethanamine
CID 159337435
octadecanamide;bis(propan-2-ol)
CID 90014672
N-methylmethanamine;octadecanamide;propyl 2-hydroxypropanoate
CID 87453878
tetradecanamide
CID 175692014
nonacosanamide
CID 21105912
tetrapentacontanamide
CID 139682680
octadecanamide;hydrochloride
CID 87891779
octadecanamide;zinc
CID 87169213
butane;octanamide
CID 87511414
octadecanamide;1-(propylamino)ethanol
CID 137369550
decan-1-amine;2-hydroxypropanoic acid
CID 88700123
dodecanamide;hexanoic acid
CID 19807771

Frequently Asked Questions

What is the IUPAC name of hexadecanamide;2-hydroxypropanoic acid;N-methylmethanamine?
The IUPAC name of hexadecanamide;2-hydroxypropanoic acid;N-methylmethanamine (CID 174723566) is hexadecanamide;2-hydroxypropanoic acid;N-methylmethanamine.
What is the SMILES notation for hexadecanamide;2-hydroxypropanoic acid;N-methylmethanamine?
The canonical SMILES for hexadecanamide;2-hydroxypropanoic acid;N-methylmethanamine is CC(O)C(=O)O.CCCCCCCCCCCCCCCC(N)=O.CNC.
What is the InChIKey of hexadecanamide;2-hydroxypropanoic acid;N-methylmethanamine?
The InChIKey is SODVHDKHSBPVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO.C3H6O3.C2H7N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-2(4)3(5)6;1-3-2/h2-15H2,1H3,(H2,17,18);2,4H,1H3,(H,5,6);3H,1-2H3.
What are the key properties of hexadecanamide;2-hydroxypropanoic acid;N-methylmethanamine?
hexadecanamide;2-hydroxypropanoic acid;N-methylmethanamine has a molecular weight of 390.61 g/mol, XLogP of 4.24, 15 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecanamide;2-hydroxypropanoic acid;N-methylmethanamine is sourced from PubChem (CID 174723566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).