(E)-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadec-2-enamide

C23H45NO2 — CID 88643116

IUPAC(E)-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadec-2-enamide
SMILESCCC(O)NC(=O)/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C23H45NO2/c1-7-22(25)24-23(26)17-21(6)16-10-15-20(5)14-9-13-19(4)12-8-11-18(2)3/h17-20,22,25H,7-16H2,1-6H3,(H,24,26)/b21-17+
InChIKeyLQIJHZVEHTUZCS-HEHNFIMWSA-N
MW367.62 g/mol
LogP6.22
Rot. Bonds15

About (E)-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadec-2-enamide

(E)-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadec-2-enamide (PubChem CID 88643116) has the molecular formula C23H45NO2 and a molecular weight of 367.62 g/mol. Its IUPAC name is (E)-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadec-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadec-2-enamide
PubChem CID88643116
Molecular FormulaC23H45NO2
Molecular Weight367.62 g/mol
Exact Mass367.35
IUPAC Name(E)-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadec-2-enamide
SMILESCCC(O)NC(=O)/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C23H45NO2/c1-7-22(25)24-23(26)17-21(6)16-10-15-20(5)14-9-13-19(4)12-8-11-18(2)3/h17-20,22,25H,7-16H2,1-6H3,(H,24,26)/b21-17+
InChIKeyLQIJHZVEHTUZCS-HEHNFIMWSA-N
XLogP6.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.62
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadec-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3,7,11,15-tetramethylhexadec-2-enoyl bromide
CID 175222711
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
CID 170924185
CID 170924185
lithium;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid;bromide
CID 174970117
17-hydroxy-2,6,10,14-tetramethyldotriacont-14-en-16-one
CID 57202060
sodium;hydride;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid;zinc;hydrofluoride
CID 174346153
4-hydroxy-7,11,15,19-tetramethylicosa-2,6-dien-5-one
CID 57023975
(14E,19E)-2,6,10,14,20,24,28,32-octamethyltritriaconta-14,19-dien-17-one
CID 6272650
(E,20R,24R)-2,6,10,16,20,24,28-heptamethylnonacos-15-en-14-ol
CID 174796441
N,N-bis(2-hydroxyethyl)-3,7,11,15-tetramethylhexadec-2-enamide
CID 54096321
(Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-enal
CID 14035235

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadec-2-enamide?
The IUPAC name of (E)-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadec-2-enamide (CID 88643116) is (E)-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadec-2-enamide.
What is the SMILES notation for (E)-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadec-2-enamide?
The canonical SMILES for (E)-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadec-2-enamide is CCC(O)NC(=O)/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of (E)-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadec-2-enamide?
The InChIKey is LQIJHZVEHTUZCS-HEHNFIMWSA-N. The full InChI is InChI=1S/C23H45NO2/c1-7-22(25)24-23(26)17-21(6)16-10-15-20(5)14-9-13-19(4)12-8-11-18(2)3/h17-20,22,25H,7-16H2,1-6H3,(H,24,26)/b21-17+.
What are the key properties of (E)-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadec-2-enamide?
(E)-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadec-2-enamide has a molecular weight of 367.62 g/mol, XLogP of 6.22, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadec-2-enamide is sourced from PubChem (CID 88643116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).