N,N-bis(2-hydroxyethyl)-3,7,11,15-tetramethylhexadec-2-enamide

C24H47NO3 — CID 54096321

IUPACN,N-bis(2-hydroxyethyl)-3,7,11,15-tetramethylhexadec-2-enamide
SMILESCC(=CC(=O)N(CCO)CCO)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C24H47NO3/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-14-23(5)19-24(28)25(15-17-26)16-18-27/h19-22,26-27H,6-18H2,1-5H3
InChIKeyMXJIEAJJDDUWQP-UHFFFAOYSA-N
MW397.64 g/mol
LogP5.18
Rot. Bonds17

About N,N-bis(2-hydroxyethyl)-3,7,11,15-tetramethylhexadec-2-enamide

N,N-bis(2-hydroxyethyl)-3,7,11,15-tetramethylhexadec-2-enamide (PubChem CID 54096321) has the molecular formula C24H47NO3 and a molecular weight of 397.64 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-3,7,11,15-tetramethylhexadec-2-enamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-3,7,11,15-tetramethylhexadec-2-enamide
PubChem CID54096321
Molecular FormulaC24H47NO3
Molecular Weight397.64 g/mol
Exact Mass397.36
IUPAC NameN,N-bis(2-hydroxyethyl)-3,7,11,15-tetramethylhexadec-2-enamide
SMILESCC(=CC(=O)N(CCO)CCO)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C24H47NO3/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-14-23(5)19-24(28)25(15-17-26)16-18-27/h19-22,26-27H,6-18H2,1-5H3
InChIKeyMXJIEAJJDDUWQP-UHFFFAOYSA-N
XLogP5.18
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.64
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

germane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid
CID 174380036
indigane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid
CID 174327196
(E)-3,7,11,15-tetramethylhexadec-2-enoyl bromide
CID 175222711
CID 170924185
CID 170924185
lithium;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid;bromide
CID 174970117
(14E,19E)-2,6,10,14,20,24,28,32-octamethyltritriaconta-14,19-dien-17-one
CID 6272650
sodium;hydride;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid;zinc;hydrofluoride
CID 174346153
(E)-3,7,11,15-tetramethyl(2,5,6,9,10,13,14-13C7)hexadec-2-en-1-ol
CID 10638184
4-hydroxy-7,11,15,19-tetramethylicosa-2,6-dien-5-one
CID 57023975
(E)-3,7,11,15,20,24,28-heptamethylnonacos-2-en-1-ol
CID 174796442
CID 160640482
CID 160640482
(Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-enal
CID 14035235

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-3,7,11,15-tetramethylhexadec-2-enamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-3,7,11,15-tetramethylhexadec-2-enamide (CID 54096321) is N,N-bis(2-hydroxyethyl)-3,7,11,15-tetramethylhexadec-2-enamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-3,7,11,15-tetramethylhexadec-2-enamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-3,7,11,15-tetramethylhexadec-2-enamide is CC(=CC(=O)N(CCO)CCO)CCCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-3,7,11,15-tetramethylhexadec-2-enamide?
The InChIKey is MXJIEAJJDDUWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47NO3/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-14-23(5)19-24(28)25(15-17-26)16-18-27/h19-22,26-27H,6-18H2,1-5H3.
What are the key properties of N,N-bis(2-hydroxyethyl)-3,7,11,15-tetramethylhexadec-2-enamide?
N,N-bis(2-hydroxyethyl)-3,7,11,15-tetramethylhexadec-2-enamide has a molecular weight of 397.64 g/mol, XLogP of 5.18, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-3,7,11,15-tetramethylhexadec-2-enamide is sourced from PubChem (CID 54096321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).