sodium;hydride;2-hydroxyethyl-[2-[methyl-[(Z)-octadec-9-enoyl]amino]ethyl]carbamic acid

C24H47N2NaO4 — CID 174731938

IUPACsodium;hydride;2-hydroxyethyl-[2-[methyl-[(Z)-octadec-9-enoyl]amino]ethyl]carbamic acid
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N(C)CCN(CCO)C(=O)O.[H-].[Na+]
InChIInChI=1S/C24H46N2O4.Na.H/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(28)25(2)19-20-26(21-22-27)24(29)30;;/h10-11,27H,3-9,12-22H2,1-2H3,(H,29,30);;/q;+1;-1/b11-10-;;
InChIKeyFJKMBXPPQOZQLZ-PQBRBDCOSA-N
MW450.64 g/mol
LogP2.57
Rot. Bonds20

About sodium;hydride;2-hydroxyethyl-[2-[methyl-[(Z)-octadec-9-enoyl]amino]ethyl]carbamic acid

sodium;hydride;2-hydroxyethyl-[2-[methyl-[(Z)-octadec-9-enoyl]amino]ethyl]carbamic acid (PubChem CID 174731938) has the molecular formula C24H47N2NaO4 and a molecular weight of 450.64 g/mol. Its IUPAC name is sodium;hydride;2-hydroxyethyl-[2-[methyl-[(Z)-octadec-9-enoyl]amino]ethyl]carbamic acid.

Molecular Properties

Compound Namesodium;hydride;2-hydroxyethyl-[2-[methyl-[(Z)-octadec-9-enoyl]amino]ethyl]carbamic acid
PubChem CID174731938
Molecular FormulaC24H47N2NaO4
Molecular Weight450.64 g/mol
Exact Mass450.34
IUPAC Namesodium;hydride;2-hydroxyethyl-[2-[methyl-[(Z)-octadec-9-enoyl]amino]ethyl]carbamic acid
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N(C)CCN(CCO)C(=O)O.[H-].[Na+]
InChIInChI=1S/C24H46N2O4.Na.H/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(28)25(2)19-20-26(21-22-27)24(29)30;;/h10-11,27H,3-9,12-22H2,1-2H3,(H,29,30);;/q;+1;-1/b11-10-;;
InChIKeyFJKMBXPPQOZQLZ-PQBRBDCOSA-N
XLogP2.57
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.64
LogP ≤ 52.57
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'}

Analyze sodium;hydride;2-hydroxyethyl-[2-[methyl-[(Z)-octadec-9-enoyl]amino]ethyl]carbamic acid with MolForge

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Related Compounds

2-[[(Z)-docos-13-enoyl]-methylamino]acetic acid
CID 109374190
2-[methyl(octadec-11-enoyl)amino]acetic acid
CID 175197754
2-[[(E)-hexadec-8-enoyl]-methylamino]acetic acid
CID 20606581
2-[methyl-[(Z)-octadec-9-enoyl]amino]acetic acid;zinc
CID 158929177
sodium;(Z)-N-methyl-N-(2-sulfinatoethyl)octadec-9-enamide;hydroxide
CID 153439313
2-[[(Z)-hexadec-9-enoyl]-methylamino]ethanesulfinic acid
CID 139527895
N-tetradecyl-N-undecyloctadec-9-enamide
CID 173113706
chromium(3+);tris(2-[methyl-[(Z)-octadec-9-enoyl]amino]acetate)
CID 173332021
(Z)-N-methyl-N-[(Z)-octadec-9-enoyl]octadec-9-enamide
CID 87122840
N-(3-hydroxypropyl)-N-methyldecanamide
CID 59366231
2-[methyl-[(Z)-octadec-9-enoyl]amino]ethyl (Z)-octadec-9-enoate
CID 54611864
(Z)-N-methyl-N-(2-oxopropyl)octadec-9-enamide
CID 158023886

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-hydroxyethyl-[2-[methyl-[(Z)-octadec-9-enoyl]amino]ethyl]carbamic acid?
The IUPAC name of sodium;hydride;2-hydroxyethyl-[2-[methyl-[(Z)-octadec-9-enoyl]amino]ethyl]carbamic acid (CID 174731938) is sodium;hydride;2-hydroxyethyl-[2-[methyl-[(Z)-octadec-9-enoyl]amino]ethyl]carbamic acid.
What is the SMILES notation for sodium;hydride;2-hydroxyethyl-[2-[methyl-[(Z)-octadec-9-enoyl]amino]ethyl]carbamic acid?
The canonical SMILES for sodium;hydride;2-hydroxyethyl-[2-[methyl-[(Z)-octadec-9-enoyl]amino]ethyl]carbamic acid is CCCCCCCC/C=C\CCCCCCCC(=O)N(C)CCN(CCO)C(=O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-hydroxyethyl-[2-[methyl-[(Z)-octadec-9-enoyl]amino]ethyl]carbamic acid?
The InChIKey is FJKMBXPPQOZQLZ-PQBRBDCOSA-N. The full InChI is InChI=1S/C24H46N2O4.Na.H/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(28)25(2)19-20-26(21-22-27)24(29)30;;/h10-11,27H,3-9,12-22H2,1-2H3,(H,29,30);;/q;+1;-1/b11-10-;;.
What are the key properties of sodium;hydride;2-hydroxyethyl-[2-[methyl-[(Z)-octadec-9-enoyl]amino]ethyl]carbamic acid?
sodium;hydride;2-hydroxyethyl-[2-[methyl-[(Z)-octadec-9-enoyl]amino]ethyl]carbamic acid has a molecular weight of 450.64 g/mol, XLogP of 2.57, 20 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-hydroxyethyl-[2-[methyl-[(Z)-octadec-9-enoyl]amino]ethyl]carbamic acid is sourced from PubChem (CID 174731938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).