(Z)-N-(2-hydroxyethyl)-N-[2-(methylamino)propyl]octadec-9-enamide

C24H48N2O2 — CID 88834006

IUPAC(Z)-N-(2-hydroxyethyl)-N-[2-(methylamino)propyl]octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N(CCO)CC(C)NC
InChIInChI=1S/C24H48N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)26(20-21-27)22-23(2)25-3/h11-12,23,25,27H,4-10,13-22H2,1-3H3/b12-11-
InChIKeyMUFLWZOEWZQARY-QXMHVHEDSA-N
MW396.66 g/mol
LogP5.45
Rot. Bonds20

About (Z)-N-(2-hydroxyethyl)-N-[2-(methylamino)propyl]octadec-9-enamide

(Z)-N-(2-hydroxyethyl)-N-[2-(methylamino)propyl]octadec-9-enamide (PubChem CID 88834006) has the molecular formula C24H48N2O2 and a molecular weight of 396.66 g/mol. Its IUPAC name is (Z)-N-(2-hydroxyethyl)-N-[2-(methylamino)propyl]octadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-(2-hydroxyethyl)-N-[2-(methylamino)propyl]octadec-9-enamide
PubChem CID88834006
Molecular FormulaC24H48N2O2
Molecular Weight396.66 g/mol
Exact Mass396.37
IUPAC Name(Z)-N-(2-hydroxyethyl)-N-[2-(methylamino)propyl]octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N(CCO)CC(C)NC
InChIInChI=1S/C24H48N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)26(20-21-27)22-23(2)25-3/h11-12,23,25,27H,4-10,13-22H2,1-3H3/b12-11-
InChIKeyMUFLWZOEWZQARY-QXMHVHEDSA-N
XLogP5.45
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.66
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-N-(2-hydroxypropyl)dodecanamide
CID 152732092
N-tetradecyl-N-undecyloctadec-9-enamide
CID 173113706
N-[3-[bis(3-hydroxypropyl)amino]propyl]-N-(3-hydroxypropyl)octadec-9-enamide
CID 173431386
(Z)-N-methyl-N-[(Z)-octadec-9-enoyl]octadec-9-enamide
CID 87122840
(Z)-N-[(2R)-1-hydroxypropan-2-yl]docos-13-enamide
CID 53318751
N-(1-hydroxypropan-2-yl)tetracos-15-enamide
CID 173265118
(E)-N-[(2S)-1-hydroxypropan-2-yl]octadec-9-enamide
CID 66509136
(Z)-N,N-diethyloctadec-9-enamide;phosphoric acid
CID 172720663
3-[decanoyl(2-hydroxyethyl)amino]propanoic acid
CID 132595707
sodium;hydride;2-hydroxyethyl-[2-[methyl-[(Z)-octadec-9-enoyl]amino]ethyl]carbamic acid
CID 174731938
N,N-bis(2-hydroxyethyl)-7-methyloctanamide
CID 54230939
(Z)-N,N-di(tetradecanoyl)octadec-9-enamide
CID 175402772

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-hydroxyethyl)-N-[2-(methylamino)propyl]octadec-9-enamide?
The IUPAC name of (Z)-N-(2-hydroxyethyl)-N-[2-(methylamino)propyl]octadec-9-enamide (CID 88834006) is (Z)-N-(2-hydroxyethyl)-N-[2-(methylamino)propyl]octadec-9-enamide.
What is the SMILES notation for (Z)-N-(2-hydroxyethyl)-N-[2-(methylamino)propyl]octadec-9-enamide?
The canonical SMILES for (Z)-N-(2-hydroxyethyl)-N-[2-(methylamino)propyl]octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)N(CCO)CC(C)NC.
What is the InChIKey of (Z)-N-(2-hydroxyethyl)-N-[2-(methylamino)propyl]octadec-9-enamide?
The InChIKey is MUFLWZOEWZQARY-QXMHVHEDSA-N. The full InChI is InChI=1S/C24H48N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)26(20-21-27)22-23(2)25-3/h11-12,23,25,27H,4-10,13-22H2,1-3H3/b12-11-.
What are the key properties of (Z)-N-(2-hydroxyethyl)-N-[2-(methylamino)propyl]octadec-9-enamide?
(Z)-N-(2-hydroxyethyl)-N-[2-(methylamino)propyl]octadec-9-enamide has a molecular weight of 396.66 g/mol, XLogP of 5.45, 20 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-hydroxyethyl)-N-[2-(methylamino)propyl]octadec-9-enamide is sourced from PubChem (CID 88834006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).