methyl 2-[[(Z)-hexadec-9-enoyl]amino]acetate

C19H35NO3 — CID 156581864

IUPACmethyl 2-[[(Z)-hexadec-9-enoyl]amino]acetate
SMILESCCCCCC/C=C\CCCCCCCC(=O)NCC(=O)OC
InChIInChI=1S/C19H35NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(21)20-17-19(22)23-2/h8-9H,3-7,10-17H2,1-2H3,(H,20,21)/b9-8-
InChIKeyZVPAWIUOYQZBHZ-HJWRWDBZSA-N
MW325.49 g/mol
LogP4.53
Rot. Bonds15

About methyl 2-[[(Z)-hexadec-9-enoyl]amino]acetate

methyl 2-[[(Z)-hexadec-9-enoyl]amino]acetate (PubChem CID 156581864) has the molecular formula C19H35NO3 and a molecular weight of 325.49 g/mol. Its IUPAC name is methyl 2-[[(Z)-hexadec-9-enoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(Z)-hexadec-9-enoyl]amino]acetate
PubChem CID156581864
Molecular FormulaC19H35NO3
Molecular Weight325.49 g/mol
Exact Mass325.26
IUPAC Namemethyl 2-[[(Z)-hexadec-9-enoyl]amino]acetate
SMILESCCCCCC/C=C\CCCCCCCC(=O)NCC(=O)OC
InChIInChI=1S/C19H35NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(21)20-17-19(22)23-2/h8-9H,3-7,10-17H2,1-2H3,(H,20,21)/b9-8-
InChIKeyZVPAWIUOYQZBHZ-HJWRWDBZSA-N
XLogP4.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.49
LogP ≤ 54.53
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(Z)-hexadec-9-enoyl]amino]acetate?
The IUPAC name of methyl 2-[[(Z)-hexadec-9-enoyl]amino]acetate (CID 156581864) is methyl 2-[[(Z)-hexadec-9-enoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[(Z)-hexadec-9-enoyl]amino]acetate?
The canonical SMILES for methyl 2-[[(Z)-hexadec-9-enoyl]amino]acetate is CCCCCC/C=C\CCCCCCCC(=O)NCC(=O)OC.
What is the InChIKey of methyl 2-[[(Z)-hexadec-9-enoyl]amino]acetate?
The InChIKey is ZVPAWIUOYQZBHZ-HJWRWDBZSA-N. The full InChI is InChI=1S/C19H35NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(21)20-17-19(22)23-2/h8-9H,3-7,10-17H2,1-2H3,(H,20,21)/b9-8-.
What are the key properties of methyl 2-[[(Z)-hexadec-9-enoyl]amino]acetate?
methyl 2-[[(Z)-hexadec-9-enoyl]amino]acetate has a molecular weight of 325.49 g/mol, XLogP of 4.53, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(Z)-hexadec-9-enoyl]amino]acetate is sourced from PubChem (CID 156581864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).