16-amino-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]hexadecanamide;ethane

C25H52N2O4 — CID 145370854

IUPAC16-amino-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]hexadecanamide;ethane
SMILESCC.CC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCN
InChIInChI=1S/C23H46N2O4.C2H6/c1-22(26)21-29-20-19-28-18-17-25-23(27)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-24;1-2/h2-21,24H2,1H3,(H,25,27);1-2H3
InChIKeyNHWTYLFSBYDTHN-UHFFFAOYSA-N
MW444.70 g/mol
LogP5.17
Rot. Bonds23

About 16-amino-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]hexadecanamide;ethane

16-amino-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]hexadecanamide;ethane (PubChem CID 145370854) has the molecular formula C25H52N2O4 and a molecular weight of 444.70 g/mol. Its IUPAC name is 16-amino-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]hexadecanamide;ethane.

Molecular Properties

Compound Name16-amino-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]hexadecanamide;ethane
PubChem CID145370854
Molecular FormulaC25H52N2O4
Molecular Weight444.70 g/mol
Exact Mass444.39
IUPAC Name16-amino-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]hexadecanamide;ethane
SMILESCC.CC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCN
InChIInChI=1S/C23H46N2O4.C2H6/c1-22(26)21-29-20-19-28-18-17-25-23(27)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-24;1-2/h2-21,24H2,1H3,(H,25,27);1-2H3
InChIKeyNHWTYLFSBYDTHN-UHFFFAOYSA-N
XLogP5.17
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds23
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.70
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]hexanamide
CID 178049768
16-amino-N-[2-[2-[2-cyclobutylidene-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]hexadecanamide;ethane
CID 145391053
9-hydroxy-N-[2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]nonanamide;vanadium
CID 155741032
9-methoxy-N-[2-[2-[2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]nonanamide
CID 155405230
17-amino-17-hydrazinylidene-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]heptadecanamide
CID 123710561
6-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]hexanamide
CID 106236522
18-oxo-18-[[4-oxo-4-[[4-oxo-4-[[4-oxo-4-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]butyl]amino]butyl]amino]butyl]amino]octadecanoic acid
CID 139387525
2-[2-(5-aminopentanoylamino)ethoxy]acetic acid
CID 79457859
5-oxo-5-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid
CID 130440881
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]hexadecanamide
CID 87320335
4-amino-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 145188206
N-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-(2-oxopropoxy)acetamide
CID 58238700

Frequently Asked Questions

What is the IUPAC name of 16-amino-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]hexadecanamide;ethane?
The IUPAC name of 16-amino-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]hexadecanamide;ethane (CID 145370854) is 16-amino-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]hexadecanamide;ethane.
What is the SMILES notation for 16-amino-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]hexadecanamide;ethane?
The canonical SMILES for 16-amino-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]hexadecanamide;ethane is CC.CC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCN.
What is the InChIKey of 16-amino-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]hexadecanamide;ethane?
The InChIKey is NHWTYLFSBYDTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N2O4.C2H6/c1-22(26)21-29-20-19-28-18-17-25-23(27)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-24;1-2/h2-21,24H2,1H3,(H,25,27);1-2H3.
What are the key properties of 16-amino-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]hexadecanamide;ethane?
16-amino-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]hexadecanamide;ethane has a molecular weight of 444.70 g/mol, XLogP of 5.17, 23 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 16-amino-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]hexadecanamide;ethane is sourced from PubChem (CID 145370854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).