7-[nonyl(prop-2-enoyl)amino]heptanoic acid

C19H35NO3 — CID 71399865

IUPAC7-[nonyl(prop-2-enoyl)amino]heptanoic acid
SMILESC=CC(=O)N(CCCCCCCCC)CCCCCCC(=O)O
InChIInChI=1S/C19H35NO3/c1-3-5-6-7-8-10-13-16-20(18(21)4-2)17-14-11-9-12-15-19(22)23/h4H,2-3,5-17H2,1H3,(H,22,23)
InChIKeyISZWAYHKDXLTKA-UHFFFAOYSA-N
MW325.49 g/mol
LogP4.79
Rot. Bonds16

About 7-[nonyl(prop-2-enoyl)amino]heptanoic acid

7-[nonyl(prop-2-enoyl)amino]heptanoic acid (PubChem CID 71399865) has the molecular formula C19H35NO3 and a molecular weight of 325.49 g/mol. Its IUPAC name is 7-[nonyl(prop-2-enoyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[nonyl(prop-2-enoyl)amino]heptanoic acid
PubChem CID71399865
Molecular FormulaC19H35NO3
Molecular Weight325.49 g/mol
Exact Mass325.26
IUPAC Name7-[nonyl(prop-2-enoyl)amino]heptanoic acid
SMILESC=CC(=O)N(CCCCCCCCC)CCCCCCC(=O)O
InChIInChI=1S/C19H35NO3/c1-3-5-6-7-8-10-13-16-20(18(21)4-2)17-14-11-9-12-15-19(22)23/h4H,2-3,5-17H2,1H3,(H,22,23)
InChIKeyISZWAYHKDXLTKA-UHFFFAOYSA-N
XLogP4.79
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.49
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[nonyl(prop-2-enoyl)amino]heptanoic acid?
The IUPAC name of 7-[nonyl(prop-2-enoyl)amino]heptanoic acid (CID 71399865) is 7-[nonyl(prop-2-enoyl)amino]heptanoic acid.
What is the SMILES notation for 7-[nonyl(prop-2-enoyl)amino]heptanoic acid?
The canonical SMILES for 7-[nonyl(prop-2-enoyl)amino]heptanoic acid is C=CC(=O)N(CCCCCCCCC)CCCCCCC(=O)O.
What is the InChIKey of 7-[nonyl(prop-2-enoyl)amino]heptanoic acid?
The InChIKey is ISZWAYHKDXLTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO3/c1-3-5-6-7-8-10-13-16-20(18(21)4-2)17-14-11-9-12-15-19(22)23/h4H,2-3,5-17H2,1H3,(H,22,23).
What are the key properties of 7-[nonyl(prop-2-enoyl)amino]heptanoic acid?
7-[nonyl(prop-2-enoyl)amino]heptanoic acid has a molecular weight of 325.49 g/mol, XLogP of 4.79, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[nonyl(prop-2-enoyl)amino]heptanoic acid is sourced from PubChem (CID 71399865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).